REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2e77_1_B DATA FIRST_RESID 1007 DATA SEQUENCE EYNAPSEIKY IDVVNTYDLE EEASKVVPHG GFNYIAGASG DEWTKRANDR DATA SEQUENCE AWKHKLLYPR LAQDVEAPDT STEILGHKIK APFIMAPIAA HGLAHTTKEA DATA SEQUENCE GTARAVSEFG TIMSISAYSG ATFEEISEGL NGGPRWFQIY MAKDDQQNRD DATA SEQUENCE ILDEAKSDGA TAIILTADST VSGNRDRDVK NKFVYPFGMP IVQRYLRGTA DATA SEQUENCE EGMSLNNIYG ASKQKISPRD IEEIAGHSGL PVFVKGIQHP EDADMAIKRG DATA SEQUENCE ASGIWVSNHG ARQLYEAPGS FDTLPAIAER VNKRVPIVFD SGVRRGEHVA DATA SEQUENCE KALASGADVV ALGRPVLFGL ALGGWQGAYS VLDYFQKDLT RVMQLTGSQN DATA SEQUENCE VEDLKGLDLF DNPYGYEY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1007 E HA 0.000 nan 4.350 nan 0.000 0.291 1007 E C 0.000 176.677 176.600 0.128 0.000 1.382 1007 E CA 0.000 56.450 56.400 0.084 0.000 0.976 1007 E CB 0.000 29.725 29.700 0.042 0.000 0.812 1008 Y N 2.909 123.247 120.300 0.062 0.000 2.404 1008 Y HA 0.378 4.928 4.550 0.000 0.000 0.344 1008 Y C -0.228 175.725 175.900 0.089 0.000 0.970 1008 Y CA -0.828 57.325 58.100 0.089 0.000 1.180 1008 Y CB 1.094 39.635 38.460 0.135 0.000 1.138 1008 Y HN 0.569 nan 8.280 nan 0.000 0.510 1009 N N 4.993 123.507 118.700 -0.311 0.000 3.034 1009 N HA 0.336 5.078 4.740 0.003 0.000 0.265 1009 N C -0.987 174.380 175.510 -0.239 0.000 1.166 1009 N CA -0.105 52.830 53.050 -0.191 0.000 1.081 1009 N CB -0.032 38.372 38.487 -0.139 0.000 1.378 1009 N HN 0.662 nan 8.380 nan 0.000 0.520 1010 A N 2.996 125.768 122.820 -0.081 0.000 2.354 1010 A HA 0.518 4.840 4.320 0.003 0.000 0.269 1010 A C -2.032 175.535 177.584 -0.028 0.000 1.109 1010 A CA -1.191 50.863 52.037 0.028 0.000 0.800 1010 A CB -0.029 19.139 19.000 0.279 0.000 1.045 1010 A HN 0.485 nan 8.150 nan 0.000 0.489 1011 P HA 0.010 nan 4.420 nan 0.000 0.267 1011 P C 0.524 177.642 177.300 -0.304 0.000 1.195 1011 P CA 0.618 63.696 63.100 -0.036 0.000 0.773 1011 P CB 0.646 32.417 31.700 0.120 0.000 0.837 1012 S N -1.307 114.247 115.700 -0.244 0.000 2.817 1012 S HA 0.120 4.591 4.470 0.003 0.000 0.262 1012 S C 0.240 174.855 174.600 0.025 0.000 1.051 1012 S CA -0.389 57.599 58.200 -0.355 0.000 1.185 1012 S CB -0.204 62.897 63.200 -0.165 0.000 1.152 1012 S HN 0.370 nan 8.310 nan 0.000 0.653 1013 E N 1.537 121.820 120.200 0.139 0.000 2.360 1013 E HA 0.350 4.701 4.350 0.003 0.000 0.269 1013 E C -0.862 175.846 176.600 0.180 0.000 1.022 1013 E CA 0.104 56.585 56.400 0.134 0.000 0.887 1013 E CB 0.799 30.539 29.700 0.067 0.000 0.990 1013 E HN 0.459 nan 8.360 nan 0.000 0.426 1014 I N 4.251 124.853 120.570 0.053 0.000 2.382 1014 I HA 0.307 4.478 4.170 0.003 0.000 0.286 1014 I C -0.339 175.646 176.117 -0.221 0.000 1.002 1014 I CA -0.465 60.779 61.300 -0.094 0.000 1.135 1014 I CB 0.720 38.687 38.000 -0.056 0.000 1.288 1014 I HN 0.451 nan 8.210 nan 0.000 0.448 1015 K N 4.400 124.599 120.400 -0.334 0.000 2.610 1015 K HA 0.420 4.742 4.320 0.003 0.000 0.278 1015 K C -1.643 174.719 176.600 -0.398 0.000 0.964 1015 K CA -1.060 55.022 56.287 -0.341 0.000 0.859 1015 K CB 0.975 33.395 32.500 -0.132 0.000 1.434 1015 K HN 0.183 nan 8.250 nan 0.000 0.410 1016 Y N 1.563 121.753 120.300 -0.183 0.000 2.457 1016 Y HA 0.304 4.857 4.550 0.004 0.000 0.341 1016 Y C 0.896 176.756 175.900 -0.066 0.000 1.240 1016 Y CA -0.225 57.804 58.100 -0.118 0.000 1.437 1016 Y CB 0.565 38.969 38.460 -0.093 0.000 1.328 1016 Y HN 0.529 nan 8.280 nan 0.000 0.588 1017 I N -2.477 118.169 120.570 0.126 0.000 2.934 1017 I HA 0.466 4.638 4.170 0.003 0.000 0.306 1017 I C -0.200 175.946 176.117 0.049 0.000 1.110 1017 I CA -0.961 60.371 61.300 0.054 0.000 1.019 1017 I CB 2.225 40.233 38.000 0.014 0.000 1.227 1017 I HN 0.406 nan 8.210 nan 0.000 0.434 1018 D N 1.794 122.202 120.400 0.013 0.000 2.084 1018 D HA -0.017 4.624 4.640 0.003 0.000 0.196 1018 D C 0.574 176.864 176.300 -0.017 0.000 0.985 1018 D CA 1.742 55.745 54.000 0.004 0.000 0.826 1018 D CB 0.008 40.803 40.800 -0.007 0.000 0.978 1018 D HN 0.494 nan 8.370 nan 0.000 0.456 1019 V N 0.570 120.433 119.914 -0.085 0.000 4.190 1019 V HA -0.190 3.931 4.120 0.003 0.000 0.437 1019 V C 1.360 177.329 176.094 -0.207 0.000 0.680 1019 V CA -0.018 62.142 62.300 -0.233 0.000 1.799 1019 V CB -1.781 29.812 31.823 -0.383 0.000 2.188 1019 V HN -0.043 nan 8.190 nan 0.000 0.488 1020 V N 1.883 121.688 119.914 -0.182 0.000 2.500 1020 V HA 0.104 4.226 4.120 0.003 0.000 0.243 1020 V C 0.905 176.923 176.094 -0.128 0.000 1.039 1020 V CA 2.106 64.355 62.300 -0.084 0.000 1.053 1020 V CB -0.098 31.694 31.823 -0.053 0.000 0.695 1020 V HN 1.205 nan 8.190 nan 0.000 0.463 1021 N N -2.170 116.353 118.700 -0.296 0.000 2.708 1021 N HA 0.188 4.930 4.740 0.003 0.000 0.257 1021 N C 0.316 175.549 175.510 -0.462 0.000 1.373 1021 N CA 0.074 52.925 53.050 -0.333 0.000 0.843 1021 N CB 1.121 39.612 38.487 0.006 0.000 1.503 1021 N HN -0.039 nan 8.380 nan 0.000 0.504 1022 T N -3.915 110.352 114.554 -0.479 0.000 3.043 1022 T HA -0.029 4.323 4.350 0.003 0.000 0.263 1022 T C 0.977 175.560 174.700 -0.195 0.000 1.094 1022 T CA 0.806 62.667 62.100 -0.398 0.000 1.127 1022 T CB -0.706 67.921 68.868 -0.401 0.000 0.905 1022 T HN 0.485 nan 8.240 nan 0.000 0.490 1023 Y N 2.321 122.579 120.300 -0.070 0.000 2.224 1023 Y HA -0.050 4.501 4.550 0.003 0.000 0.289 1023 Y C 2.386 178.256 175.900 -0.049 0.000 1.146 1023 Y CA 1.226 59.318 58.100 -0.012 0.000 1.182 1023 Y CB -0.495 37.964 38.460 -0.003 0.000 0.983 1023 Y HN 0.206 nan 8.280 nan 0.000 0.524 1024 D N -0.330 120.110 120.400 0.067 0.000 2.219 1024 D HA -0.116 4.526 4.640 0.003 0.000 0.205 1024 D C 1.967 178.221 176.300 -0.077 0.000 0.970 1024 D CA 0.698 54.689 54.000 -0.015 0.000 0.851 1024 D CB -0.200 40.576 40.800 -0.041 0.000 0.943 1024 D HN 0.184 nan 8.370 nan 0.000 0.488 1025 L N 1.115 122.287 121.223 -0.085 0.000 2.189 1025 L HA -0.157 4.185 4.340 0.003 0.000 0.214 1025 L C 2.199 178.872 176.870 -0.327 0.000 1.097 1025 L CA 1.302 56.082 54.840 -0.100 0.000 0.764 1025 L CB -0.902 41.182 42.059 0.042 0.000 0.900 1025 L HN 0.143 nan 8.230 nan 0.000 0.436 1026 E N -0.329 119.610 120.200 -0.434 0.000 2.028 1026 E HA -0.274 4.077 4.350 0.003 0.000 0.191 1026 E C 2.075 178.440 176.600 -0.391 0.000 0.988 1026 E CA 1.226 57.146 56.400 -0.801 0.000 0.799 1026 E CB 0.090 29.578 29.700 -0.352 0.000 0.755 1026 E HN 0.467 nan 8.360 nan 0.000 0.447 1027 E N 0.703 120.773 120.200 -0.217 0.000 2.085 1027 E HA -0.226 4.126 4.350 0.003 0.000 0.194 1027 E C 1.817 178.276 176.600 -0.234 0.000 0.994 1027 E CA 1.852 58.138 56.400 -0.190 0.000 0.801 1027 E CB 0.019 29.655 29.700 -0.107 0.000 0.743 1027 E HN 0.347 nan 8.360 nan 0.000 0.453 1028 E N -0.107 119.975 120.200 -0.195 0.000 2.051 1028 E HA -0.184 4.167 4.350 0.003 0.000 0.192 1028 E C 2.114 178.609 176.600 -0.175 0.000 0.991 1028 E CA 1.037 57.344 56.400 -0.154 0.000 0.799 1028 E CB -0.260 29.377 29.700 -0.105 0.000 0.748 1028 E HN 0.403 nan 8.360 nan 0.000 0.449 1029 A N 1.505 124.207 122.820 -0.197 0.000 1.972 1029 A HA -0.204 4.118 4.320 0.003 0.000 0.219 1029 A C 2.306 179.692 177.584 -0.329 0.000 1.169 1029 A CA 1.774 53.741 52.037 -0.117 0.000 0.635 1029 A CB -0.727 18.319 19.000 0.076 0.000 0.810 1029 A HN 0.329 nan 8.150 nan 0.000 0.446 1030 S N 0.009 115.235 115.700 -0.790 0.000 2.419 1030 S HA -0.207 4.265 4.470 0.003 0.000 0.235 1030 S C 1.678 175.948 174.600 -0.549 0.000 1.019 1030 S CA 1.680 59.099 58.200 -1.301 0.000 0.982 1030 S CB -0.391 62.041 63.200 -1.279 0.000 0.789 1030 S HN 0.629 nan 8.310 nan 0.000 0.490 1031 K N 0.553 120.758 120.400 -0.325 0.000 2.366 1031 K HA 0.093 4.414 4.320 0.003 0.000 0.198 1031 K C 1.696 178.223 176.600 -0.122 0.000 1.044 1031 K CA 1.147 57.324 56.287 -0.182 0.000 0.973 1031 K CB 0.084 32.504 32.500 -0.133 0.000 0.767 1031 K HN 0.583 nan 8.250 nan 0.000 0.475 1032 V N -3.765 116.085 119.914 -0.107 0.000 3.548 1032 V HA 0.210 4.331 4.120 0.003 0.000 0.279 1032 V C 0.371 176.459 176.094 -0.010 0.000 1.446 1032 V CA -0.566 61.709 62.300 -0.042 0.000 1.023 1032 V CB 0.620 32.441 31.823 -0.004 0.000 0.820 1032 V HN -0.239 nan 8.190 nan 0.000 0.438 1033 V N 2.771 122.683 119.914 -0.002 0.000 2.472 1033 V HA 0.500 4.622 4.120 0.003 0.000 0.290 1033 V C -2.205 173.928 176.094 0.064 0.000 1.037 1033 V CA -1.811 60.548 62.300 0.099 0.000 0.908 1033 V CB 1.309 33.313 31.823 0.303 0.000 0.985 1033 V HN 0.291 nan 8.190 nan 0.000 0.454 1034 P HA -0.018 nan 4.420 nan 0.000 0.266 1034 P C 0.942 178.368 177.300 0.211 0.000 1.193 1034 P CA 0.217 63.318 63.100 0.002 0.000 0.770 1034 P CB 0.345 31.866 31.700 -0.298 0.000 0.836 1035 H N 2.312 121.456 119.070 0.123 0.000 2.319 1035 H HA -0.163 4.394 4.556 0.002 0.000 0.297 1035 H C 1.903 177.382 175.328 0.252 0.000 1.097 1035 H CA 2.482 58.636 56.048 0.177 0.000 1.285 1035 H CB -0.481 29.348 29.762 0.112 0.000 1.368 1035 H HN 0.564 nan 8.280 nan 0.000 0.495 1036 G N -0.553 108.422 108.800 0.292 0.000 2.404 1036 G HA2 -0.214 3.747 3.960 0.003 0.000 0.215 1036 G HA3 -0.214 3.747 3.960 0.003 0.000 0.215 1036 G C 1.958 176.994 174.900 0.227 0.000 1.174 1036 G CA 0.709 45.990 45.100 0.301 0.000 0.780 1036 G HN 0.530 nan 8.290 nan 0.000 0.537 1037 G N 0.198 109.233 108.800 0.391 0.000 2.408 1037 G HA2 -0.137 3.825 3.960 0.003 0.000 0.217 1037 G HA3 -0.137 3.825 3.960 0.003 0.000 0.217 1037 G C 1.617 176.632 174.900 0.191 0.000 1.150 1037 G CA 0.816 46.081 45.100 0.276 0.000 0.776 1037 G HN 0.384 nan 8.290 nan 0.000 0.542 1038 F N 1.920 121.945 119.950 0.125 0.000 2.102 1038 F HA -0.082 4.446 4.527 0.001 0.000 0.298 1038 F C 2.385 178.190 175.800 0.008 0.000 1.105 1038 F CA 1.909 59.963 58.000 0.090 0.000 1.239 1038 F CB -0.180 38.849 39.000 0.047 0.000 0.991 1038 F HN 0.159 nan 8.300 nan 0.000 0.474 1039 N N -1.228 117.362 118.700 -0.183 0.000 2.309 1039 N HA -0.217 4.525 4.740 0.003 0.000 0.182 1039 N C 1.608 176.932 175.510 -0.311 0.000 1.018 1039 N CA 1.141 54.010 53.050 -0.302 0.000 0.876 1039 N CB -0.464 37.880 38.487 -0.238 0.000 0.972 1039 N HN 0.462 nan 8.380 nan 0.000 0.434 1040 Y N 1.353 121.358 120.300 -0.491 0.000 2.181 1040 Y HA -0.116 4.439 4.550 0.007 0.000 0.288 1040 Y C 1.748 177.412 175.900 -0.395 0.000 1.146 1040 Y CA 1.382 59.108 58.100 -0.624 0.000 1.164 1040 Y CB -0.176 37.537 38.460 -1.245 0.000 0.982 1040 Y HN 0.022 nan 8.280 nan 0.000 0.515 1041 I N -0.056 120.306 120.570 -0.346 0.000 2.233 1041 I HA -0.251 3.921 4.170 0.003 0.000 0.243 1041 I C 2.634 178.538 176.117 -0.355 0.000 1.093 1041 I CA 1.228 62.327 61.300 -0.335 0.000 1.380 1041 I CB -0.693 37.230 38.000 -0.128 0.000 1.067 1041 I HN 0.320 nan 8.210 nan 0.000 0.413 1042 A N 0.670 123.234 122.820 -0.427 0.000 1.929 1042 A HA 0.115 4.437 4.320 0.003 0.000 0.216 1042 A C 1.639 179.107 177.584 -0.195 0.000 1.176 1042 A CA 1.096 52.953 52.037 -0.301 0.000 0.628 1042 A CB -1.146 17.481 19.000 -0.622 0.000 0.816 1042 A HN 0.398 nan 8.150 nan 0.000 0.444 1043 G N -1.688 106.971 108.800 -0.234 0.000 2.634 1043 G HA2 0.545 4.507 3.960 0.003 0.000 0.255 1043 G HA3 0.545 4.507 3.960 0.003 0.000 0.255 1043 G C -0.136 174.700 174.900 -0.108 0.000 1.205 1043 G CA 0.310 45.324 45.100 -0.144 0.000 0.884 1043 G HN 1.036 nan 8.290 nan 0.000 0.549 1044 A N -0.529 122.266 122.820 -0.043 0.000 2.535 1044 A HA 0.822 5.144 4.320 0.003 0.000 0.296 1044 A C 0.100 177.705 177.584 0.034 0.000 1.248 1044 A CA -0.478 51.562 52.037 0.005 0.000 0.686 1044 A CB 0.673 19.701 19.000 0.046 0.000 1.315 1044 A HN 0.904 nan 8.150 nan 0.000 0.460 1045 S N -0.310 115.447 115.700 0.094 0.000 2.592 1045 S HA 0.540 5.012 4.470 0.003 0.000 0.271 1045 S C 1.042 175.652 174.600 0.016 0.000 1.326 1045 S CA 0.507 58.759 58.200 0.086 0.000 1.024 1045 S CB 0.760 64.057 63.200 0.162 0.000 0.921 1045 S HN 2.381 nan 8.310 nan 0.000 0.527 1046 G N 2.698 111.356 108.800 -0.237 0.000 2.596 1046 G HA2 -0.320 3.642 3.960 0.003 0.000 0.295 1046 G HA3 -0.320 3.642 3.960 0.003 0.000 0.295 1046 G C 0.121 174.864 174.900 -0.262 0.000 1.240 1046 G CA 0.532 45.272 45.100 -0.601 0.000 0.985 1046 G HN 0.873 nan 8.290 nan 0.000 0.555 1047 D N 1.196 121.474 120.400 -0.203 0.000 2.319 1047 D HA 0.203 4.845 4.640 0.003 0.000 0.230 1047 D C 0.925 177.331 176.300 0.177 0.000 1.094 1047 D CA 0.898 54.923 54.000 0.042 0.000 0.856 1047 D CB -0.352 40.501 40.800 0.088 0.000 0.915 1047 D HN 0.954 nan 8.370 nan 0.000 0.517 1048 E N -2.247 118.098 120.200 0.240 0.000 3.413 1048 E HA -0.266 4.085 4.350 0.003 0.000 0.300 1048 E C 0.223 176.995 176.600 0.286 0.000 0.891 1048 E CA 0.560 57.105 56.400 0.243 0.000 1.050 1048 E CB -2.225 27.545 29.700 0.117 0.000 1.534 1048 E HN 0.557 nan 8.360 nan 0.000 0.436 1049 W N 1.154 122.612 121.300 0.264 0.000 2.321 1049 W HA -0.207 4.455 4.660 0.002 0.000 0.306 1049 W C 2.282 178.825 176.519 0.040 0.000 1.217 1049 W CA 2.305 59.731 57.345 0.135 0.000 1.257 1049 W CB -0.157 29.387 29.460 0.140 0.000 1.145 1049 W HN 0.056 nan 8.180 nan 0.000 0.509 1050 T N 0.153 114.857 114.554 0.250 0.000 2.951 1050 T HA -0.189 4.162 4.350 0.003 0.000 0.268 1050 T C 1.717 176.386 174.700 -0.053 0.000 1.073 1050 T CA 1.545 63.668 62.100 0.037 0.000 1.134 1050 T CB -0.263 68.666 68.868 0.102 0.000 0.884 1050 T HN 0.178 nan 8.240 nan 0.000 0.479 1051 K N 1.090 121.499 120.400 0.016 0.000 2.057 1051 K HA -0.048 4.273 4.320 0.003 0.000 0.206 1051 K C 2.500 179.055 176.600 -0.075 0.000 1.050 1051 K CA 0.994 57.278 56.287 -0.004 0.000 0.935 1051 K CB -0.039 32.484 32.500 0.038 0.000 0.715 1051 K HN 0.119 nan 8.250 nan 0.000 0.439 1052 R N 0.163 120.575 120.500 -0.147 0.000 2.073 1052 R HA -0.133 4.208 4.340 0.003 0.000 0.234 1052 R C 2.160 178.242 176.300 -0.363 0.000 1.134 1052 R CA 1.477 57.430 56.100 -0.245 0.000 0.952 1052 R CB -0.367 29.744 30.300 -0.314 0.000 0.850 1052 R HN 0.282 nan 8.270 nan 0.000 0.433 1053 A N 1.332 123.821 122.820 -0.552 0.000 1.917 1053 A HA -0.233 4.089 4.320 0.003 0.000 0.219 1053 A C 1.772 179.167 177.584 -0.315 0.000 1.182 1053 A CA 1.894 53.609 52.037 -0.537 0.000 0.633 1053 A CB -0.710 17.890 19.000 -0.667 0.000 0.819 1053 A HN 0.435 nan 8.150 nan 0.000 0.448 1054 N N 0.014 118.588 118.700 -0.211 0.000 2.104 1054 N HA -0.169 4.573 4.740 0.003 0.000 0.190 1054 N C 1.468 176.874 175.510 -0.174 0.000 1.024 1054 N CA 1.815 54.773 53.050 -0.153 0.000 0.853 1054 N CB -0.488 37.977 38.487 -0.037 0.000 1.008 1054 N HN 0.685 nan 8.380 nan 0.000 0.424 1055 D N 0.179 120.547 120.400 -0.053 0.000 2.137 1055 D HA 0.051 4.692 4.640 0.003 0.000 0.202 1055 D C 1.787 178.121 176.300 0.056 0.000 0.970 1055 D CA 0.733 54.813 54.000 0.133 0.000 0.837 1055 D CB 0.206 41.105 40.800 0.165 0.000 0.981 1055 D HN 0.109 nan 8.370 nan 0.000 0.475 1056 R N -0.068 120.348 120.500 -0.141 0.000 2.189 1056 R HA 0.114 4.456 4.340 0.003 0.000 0.218 1056 R C 2.188 178.323 176.300 -0.276 0.000 1.074 1056 R CA 0.740 56.767 56.100 -0.122 0.000 0.991 1056 R CB -0.106 30.054 30.300 -0.233 0.000 0.883 1056 R HN 0.130 nan 8.270 nan 0.000 0.457 1057 A N 0.571 123.080 122.820 -0.518 0.000 1.978 1057 A HA -0.173 4.149 4.320 0.003 0.000 0.220 1057 A C 1.496 178.812 177.584 -0.446 0.000 1.170 1057 A CA 0.977 52.504 52.037 -0.850 0.000 0.636 1057 A CB -0.809 17.881 19.000 -0.517 0.000 0.810 1057 A HN 0.468 nan 8.150 nan 0.000 0.448 1058 W N -0.292 120.900 121.300 -0.179 0.000 2.387 1058 W HA -0.097 4.564 4.660 0.002 0.000 0.272 1058 W C 1.785 178.317 176.519 0.021 0.000 1.224 1058 W CA 1.126 58.338 57.345 -0.221 0.000 1.210 1058 W CB 0.019 29.213 29.460 -0.444 0.000 1.125 1058 W HN 0.094 nan 8.180 nan 0.000 0.572 1059 K N -0.645 119.914 120.400 0.264 0.000 2.487 1059 K HA 0.000 4.322 4.320 0.003 0.000 0.192 1059 K C 1.145 178.006 176.600 0.435 0.000 1.027 1059 K CA 0.748 57.229 56.287 0.323 0.000 1.054 1059 K CB -0.535 32.168 32.500 0.338 0.000 0.824 1059 K HN 0.399 nan 8.250 nan 0.000 0.510 1060 H N -0.421 118.818 119.070 0.282 0.000 2.470 1060 H HA 0.091 4.649 4.556 0.003 0.000 0.289 1060 H C -0.090 175.384 175.328 0.243 0.000 1.033 1060 H CA 0.447 56.632 56.048 0.229 0.000 1.331 1060 H CB 0.512 30.363 29.762 0.147 0.000 1.414 1060 H HN -0.204 nan 8.280 nan 0.000 0.545 1061 K N 1.472 122.143 120.400 0.453 0.000 2.545 1061 K HA 0.367 4.689 4.320 0.003 0.000 0.252 1061 K C -1.103 175.698 176.600 0.336 0.000 0.948 1061 K CA -0.214 56.300 56.287 0.378 0.000 0.827 1061 K CB 2.646 35.418 32.500 0.453 0.000 1.128 1061 K HN 0.062 nan 8.250 nan 0.000 0.429 1062 L N 3.185 124.574 121.223 0.277 0.000 2.334 1062 L HA 0.551 4.892 4.340 0.003 0.000 0.273 1062 L C 0.148 177.040 176.870 0.037 0.000 1.013 1062 L CA -1.215 53.714 54.840 0.149 0.000 0.816 1062 L CB 1.215 43.326 42.059 0.087 0.000 1.278 1062 L HN 0.301 nan 8.230 nan 0.000 0.431 1063 L N 1.464 122.692 121.223 0.008 0.000 2.395 1063 L HA 0.301 4.643 4.340 0.003 0.000 0.269 1063 L C -0.886 175.949 176.870 -0.059 0.000 1.133 1063 L CA -0.301 54.555 54.840 0.026 0.000 0.812 1063 L CB 0.555 42.642 42.059 0.046 0.000 1.125 1063 L HN 0.368 nan 8.230 nan 0.000 0.452 1064 Y N 2.634 122.981 120.300 0.078 0.000 2.313 1064 Y HA 0.287 4.839 4.550 0.003 0.000 0.332 1064 Y C -1.719 174.195 175.900 0.024 0.000 1.071 1064 Y CA -2.173 55.955 58.100 0.047 0.000 1.169 1064 Y CB 0.497 39.001 38.460 0.073 0.000 1.192 1064 Y HN 0.377 nan 8.280 nan 0.000 0.487 1065 P HA 0.249 nan 4.420 nan 0.000 0.275 1065 P C -0.756 176.606 177.300 0.103 0.000 1.228 1065 P CA -0.357 62.800 63.100 0.096 0.000 0.786 1065 P CB 1.062 32.792 31.700 0.050 0.000 0.927 1066 R N 1.946 122.485 120.500 0.064 0.000 2.686 1066 R HA 0.592 4.933 4.340 0.003 0.000 0.283 1066 R C -0.254 176.059 176.300 0.023 0.000 0.978 1066 R CA -0.890 55.234 56.100 0.040 0.000 0.897 1066 R CB 1.532 31.851 30.300 0.033 0.000 1.192 1066 R HN 0.460 nan 8.270 nan 0.000 0.457 1067 L N -1.689 119.542 121.223 0.014 0.000 2.301 1067 L HA 0.865 5.206 4.340 0.003 0.000 0.264 1067 L C 0.565 177.438 176.870 0.004 0.000 1.016 1067 L CA -0.885 53.960 54.840 0.009 0.000 0.821 1067 L CB 1.252 43.316 42.059 0.008 0.000 1.346 1067 L HN 0.732 nan 8.230 nan 0.000 0.429 1068 A N -0.295 122.526 122.820 0.003 0.000 2.745 1068 A HA -0.149 4.173 4.320 0.003 0.000 0.296 1068 A C 0.534 178.119 177.584 0.001 0.000 1.500 1068 A CA 0.946 52.984 52.037 0.001 0.000 0.766 1068 A CB -2.232 16.768 19.000 0.000 0.000 1.030 1068 A HN 0.734 nan 8.150 nan 0.000 0.489 1069 Q N -0.272 119.529 119.800 0.003 0.000 2.249 1069 Q HA 0.421 4.763 4.340 0.003 0.000 0.226 1069 Q C 0.108 176.109 176.000 0.003 0.000 0.983 1069 Q CA -0.020 55.785 55.803 0.004 0.000 0.930 1069 Q CB 0.620 29.362 28.738 0.007 0.000 1.193 1069 Q HN 0.611 nan 8.270 nan 0.000 0.508 1070 D N 0.482 120.884 120.400 0.003 0.000 2.514 1070 D HA 0.332 4.974 4.640 0.003 0.000 0.267 1070 D C -1.515 174.785 176.300 0.001 0.000 1.165 1070 D CA -0.290 53.711 54.000 0.001 0.000 0.958 1070 D CB 0.048 40.849 40.800 0.001 0.000 0.992 1070 D HN 0.049 nan 8.370 nan 0.000 0.506 1071 V N 2.475 122.389 119.914 0.001 0.000 2.540 1071 V HA 0.582 4.703 4.120 0.003 0.000 0.302 1071 V C -0.349 175.745 176.094 -0.001 0.000 1.035 1071 V CA -0.787 61.513 62.300 0.001 0.000 0.873 1071 V CB 1.906 33.731 31.823 0.004 0.000 0.992 1071 V HN 0.423 nan 8.190 nan 0.000 0.428 1072 E N 3.582 123.781 120.200 -0.002 0.000 2.335 1072 E HA 0.614 4.966 4.350 0.003 0.000 0.280 1072 E C -0.361 176.237 176.600 -0.004 0.000 0.918 1072 E CA -0.150 56.248 56.400 -0.003 0.000 0.765 1072 E CB 1.906 31.604 29.700 -0.003 0.000 1.218 1072 E HN 1.448 nan 8.360 nan 0.000 0.425 1073 A N 3.317 126.134 122.820 -0.005 0.000 2.303 1073 A HA -0.111 4.210 4.320 0.003 0.000 0.286 1073 A C -2.457 175.124 177.584 -0.006 0.000 1.429 1073 A CA 0.287 52.321 52.037 -0.006 0.000 0.738 1073 A CB -1.759 17.237 19.000 -0.006 0.000 1.149 1073 A HN 0.389 nan 8.150 nan 0.000 0.364 1074 P HA 0.325 nan 4.420 nan 0.000 0.269 1074 P C -0.187 177.110 177.300 -0.006 0.000 1.215 1074 P CA -0.007 63.091 63.100 -0.003 0.000 0.780 1074 P CB 0.539 32.238 31.700 -0.001 0.000 0.898 1075 D N 0.665 121.061 120.400 -0.007 0.000 2.329 1075 D HA 0.122 4.763 4.640 0.003 0.000 0.232 1075 D C 0.688 176.978 176.300 -0.016 0.000 1.088 1075 D CA -0.276 53.715 54.000 -0.015 0.000 0.835 1075 D CB 0.544 41.334 40.800 -0.016 0.000 1.078 1075 D HN 0.269 nan 8.370 nan 0.000 0.495 1076 T N -0.104 114.436 114.554 -0.023 0.000 3.129 1076 T HA 0.076 4.428 4.350 0.003 0.000 0.251 1076 T C 0.949 175.611 174.700 -0.063 0.000 1.117 1076 T CA -0.295 61.788 62.100 -0.028 0.000 1.034 1076 T CB -0.294 68.568 68.868 -0.009 0.000 0.968 1076 T HN 0.270 nan 8.240 nan 0.000 0.526 1077 S N 0.533 116.195 115.700 -0.063 0.000 2.592 1077 S HA 0.574 5.046 4.470 0.003 0.000 0.271 1077 S C -0.023 174.545 174.600 -0.053 0.000 1.326 1077 S CA -0.425 57.729 58.200 -0.077 0.000 1.024 1077 S CB 1.387 64.544 63.200 -0.071 0.000 0.921 1077 S HN 0.421 nan 8.310 nan 0.000 0.527 1078 T N 0.015 114.537 114.554 -0.053 0.000 2.665 1078 T HA 0.502 4.854 4.350 0.003 0.000 0.303 1078 T C -2.163 172.532 174.700 -0.008 0.000 1.334 1078 T CA -0.684 61.402 62.100 -0.024 0.000 1.011 1078 T CB 1.620 70.475 68.868 -0.021 0.000 1.573 1078 T HN 0.885 nan 8.240 nan 0.000 0.492 1079 E N 0.738 120.951 120.200 0.021 0.000 2.314 1079 E HA 0.678 5.030 4.350 0.003 0.000 0.272 1079 E C -1.714 174.941 176.600 0.092 0.000 0.884 1079 E CA -0.740 55.691 56.400 0.051 0.000 0.753 1079 E CB 1.933 31.658 29.700 0.042 0.000 1.213 1079 E HN 0.586 nan 8.360 nan 0.000 0.432 1080 I N 5.676 126.341 120.570 0.158 0.000 2.534 1080 I HA 0.257 4.429 4.170 0.003 0.000 0.288 1080 I C -0.430 175.895 176.117 0.347 0.000 1.077 1080 I CA -0.643 60.808 61.300 0.251 0.000 1.051 1080 I CB 0.912 39.089 38.000 0.296 0.000 1.234 1080 I HN 0.858 nan 8.210 nan 0.000 0.425 1081 L N 8.028 129.409 121.223 0.264 0.000 3.742 1081 L HA -0.284 4.058 4.340 0.003 0.000 0.431 1081 L C 1.121 178.029 176.870 0.063 0.000 1.220 1081 L CA 0.886 55.845 54.840 0.199 0.000 0.863 1081 L CB -1.932 40.330 42.059 0.338 0.000 1.751 1081 L HN 1.154 nan 8.230 nan 0.000 0.922 1082 G N -1.574 107.242 108.800 0.027 0.000 2.205 1082 G HA2 -0.317 3.645 3.960 0.003 0.000 0.261 1082 G HA3 -0.317 3.645 3.960 0.003 0.000 0.261 1082 G C 0.092 174.927 174.900 -0.108 0.000 0.980 1082 G CA 0.617 45.677 45.100 -0.067 0.000 0.632 1082 G HN 0.685 nan 8.290 nan 0.000 0.533 1083 H N 1.023 120.164 119.070 0.118 0.000 2.604 1083 H HA 0.506 5.064 4.556 0.003 0.000 0.306 1083 H C 0.356 175.697 175.328 0.021 0.000 1.075 1083 H CA -0.302 55.786 56.048 0.068 0.000 1.357 1083 H CB 0.786 30.584 29.762 0.062 0.000 1.426 1083 H HN 0.196 nan 8.280 nan 0.000 0.470 1084 K N 4.832 125.298 120.400 0.111 0.000 2.349 1084 K HA 0.242 4.563 4.320 0.003 0.000 0.289 1084 K C -0.119 176.481 176.600 -0.000 0.000 1.064 1084 K CA -0.175 56.135 56.287 0.037 0.000 0.947 1084 K CB 0.478 32.986 32.500 0.013 0.000 1.007 1084 K HN 0.534 nan 8.250 nan 0.000 0.478 1085 I N -1.233 119.313 120.570 -0.040 0.000 2.846 1085 I HA 0.360 4.532 4.170 0.003 0.000 0.307 1085 I C 0.514 176.540 176.117 -0.151 0.000 1.053 1085 I CA -1.020 60.221 61.300 -0.100 0.000 1.050 1085 I CB 1.922 39.849 38.000 -0.122 0.000 1.239 1085 I HN 0.261 nan 8.210 nan 0.000 0.439 1086 K N 2.182 122.443 120.400 -0.230 0.000 2.418 1086 K HA 0.399 4.721 4.320 0.003 0.000 0.195 1086 K C 0.184 176.626 176.600 -0.265 0.000 1.035 1086 K CA 0.402 56.506 56.287 -0.305 0.000 1.003 1086 K CB 0.461 32.622 32.500 -0.566 0.000 0.793 1086 K HN 0.818 nan 8.250 nan 0.000 0.494 1087 A N 1.209 123.846 122.820 -0.304 0.000 2.612 1087 A HA 0.403 4.725 4.320 0.003 0.000 0.293 1087 A C -2.707 174.581 177.584 -0.493 0.000 1.075 1087 A CA -1.048 50.730 52.037 -0.431 0.000 0.680 1087 A CB 1.531 20.073 19.000 -0.763 0.000 1.279 1087 A HN -0.184 nan 8.150 nan 0.000 0.411 1088 P HA 0.296 nan 4.420 nan 0.000 0.237 1088 P C -0.980 176.293 177.300 -0.044 0.000 1.723 1088 P CA 0.422 63.445 63.100 -0.128 0.000 0.882 1088 P CB -1.309 30.380 31.700 -0.018 0.000 1.810 1089 F N -0.015 119.889 119.950 -0.076 0.000 2.601 1089 F HA 0.730 5.259 4.527 0.002 0.000 0.309 1089 F C -0.491 175.198 175.800 -0.184 0.000 1.089 1089 F CA -1.857 56.044 58.000 -0.166 0.000 0.940 1089 F CB 1.336 40.183 39.000 -0.256 0.000 1.273 1089 F HN -0.149 nan 8.300 nan 0.000 0.450 1090 I N 0.329 120.905 120.570 0.009 0.000 3.206 1090 I HA 0.705 4.877 4.170 0.003 0.000 0.313 1090 I C -1.166 174.916 176.117 -0.059 0.000 1.103 1090 I CA -1.457 59.780 61.300 -0.104 0.000 0.985 1090 I CB 2.208 40.014 38.000 -0.323 0.000 1.240 1090 I HN 0.793 nan 8.210 nan 0.000 0.464 1091 M N 3.373 122.940 119.600 -0.055 0.000 2.146 1091 M HA 0.598 5.079 4.480 0.003 0.000 0.357 1091 M C -0.191 176.143 176.300 0.057 0.000 1.261 1091 M CA 0.041 55.331 55.300 -0.017 0.000 1.106 1091 M CB 0.816 33.425 32.600 0.014 0.000 1.612 1091 M HN 0.765 nan 8.290 nan 0.000 0.470 1092 A N 7.517 130.374 122.820 0.062 0.000 2.371 1092 A HA 0.621 4.942 4.320 0.003 0.000 0.257 1092 A C -2.399 175.226 177.584 0.068 0.000 1.089 1092 A CA -1.266 50.863 52.037 0.152 0.000 0.794 1092 A CB -0.682 18.369 19.000 0.085 0.000 1.029 1092 A HN 0.706 nan 8.150 nan 0.000 0.488 1093 P HA 0.328 nan 4.420 nan 0.000 0.271 1093 P C -0.955 176.329 177.300 -0.027 0.000 1.233 1093 P CA 0.657 63.721 63.100 -0.060 0.000 0.764 1093 P CB 0.413 31.958 31.700 -0.257 0.000 0.825 1094 I N 2.244 122.897 120.570 0.138 0.000 2.607 1094 I HA 0.394 4.565 4.170 0.003 0.000 0.290 1094 I C 0.279 176.613 176.117 0.361 0.000 1.129 1094 I CA -1.154 60.266 61.300 0.199 0.000 1.042 1094 I CB 2.359 40.416 38.000 0.095 0.000 1.242 1094 I HN 0.297 nan 8.210 nan 0.000 0.421 1095 A N 4.634 127.670 122.820 0.360 0.000 2.366 1095 A HA 0.626 4.948 4.320 0.003 0.000 0.249 1095 A C 0.953 178.831 177.584 0.489 0.000 1.084 1095 A CA 0.437 52.717 52.037 0.405 0.000 0.794 1095 A CB 0.244 19.544 19.000 0.500 0.000 1.034 1095 A HN 1.746 nan 8.150 nan 0.000 0.491 1096 A N 0.565 123.625 122.820 0.400 0.000 2.519 1096 A HA -0.196 4.126 4.320 0.003 0.000 0.297 1096 A C 0.706 178.610 177.584 0.535 0.000 1.472 1096 A CA 1.366 53.718 52.037 0.524 0.000 0.739 1096 A CB -2.723 16.640 19.000 0.605 0.000 1.096 1096 A HN 1.077 nan 8.150 nan 0.000 0.414 1097 H N -0.521 118.671 119.070 0.204 0.000 2.518 1097 H HA -0.021 4.537 4.556 0.003 0.000 0.289 1097 H C 2.287 177.718 175.328 0.172 0.000 1.051 1097 H CA 0.567 56.716 56.048 0.168 0.000 1.280 1097 H CB 0.199 30.026 29.762 0.108 0.000 1.380 1097 H HN 0.755 nan 8.280 nan 0.000 0.566 1098 G N 0.915 109.823 108.800 0.180 0.000 2.498 1098 G HA2 -0.191 3.771 3.960 0.003 0.000 0.219 1098 G HA3 -0.191 3.771 3.960 0.003 0.000 0.219 1098 G C 1.590 176.715 174.900 0.376 0.000 1.119 1098 G CA 0.242 45.376 45.100 0.057 0.000 0.766 1098 G HN 0.287 nan 8.290 nan 0.000 0.552 1099 L N 0.070 121.591 121.223 0.496 0.000 2.201 1099 L HA 0.037 4.379 4.340 0.003 0.000 0.212 1099 L C 3.151 180.344 176.870 0.538 0.000 1.105 1099 L CA 0.905 56.007 54.840 0.437 0.000 0.775 1099 L CB -0.157 42.081 42.059 0.298 0.000 0.913 1099 L HN 0.303 nan 8.230 nan 0.000 0.440 1100 A N -1.876 121.192 122.820 0.413 0.000 1.956 1100 A HA 0.022 4.344 4.320 0.003 0.000 0.212 1100 A C 0.506 178.324 177.584 0.391 0.000 1.188 1100 A CA 0.607 52.864 52.037 0.367 0.000 0.675 1100 A CB -0.031 19.124 19.000 0.258 0.000 0.845 1100 A HN 0.481 nan 8.150 nan 0.000 0.455 1101 H N -2.816 116.396 119.070 0.236 0.000 3.112 1101 H HA 0.286 4.844 4.556 0.004 0.000 0.347 1101 H C 1.038 176.454 175.328 0.147 0.000 1.188 1101 H CA 0.207 56.361 56.048 0.176 0.000 1.240 1101 H CB 1.018 30.866 29.762 0.143 0.000 1.920 1101 H HN 0.065 nan 8.280 nan 0.000 0.535 1102 T N -0.573 113.853 114.554 -0.215 0.000 2.849 1102 T HA -0.199 4.153 4.350 0.003 0.000 0.270 1102 T C 1.708 176.441 174.700 0.055 0.000 1.066 1102 T CA 1.754 63.807 62.100 -0.078 0.000 1.130 1102 T CB -0.569 68.212 68.868 -0.145 0.000 0.864 1102 T HN 0.678 nan 8.240 nan 0.000 0.481 1103 T N -0.108 114.613 114.554 0.279 0.000 3.113 1103 T HA 0.148 4.500 4.350 0.003 0.000 0.256 1103 T C 1.089 175.902 174.700 0.189 0.000 1.131 1103 T CA 0.433 62.691 62.100 0.262 0.000 1.074 1103 T CB -0.578 68.487 68.868 0.328 0.000 0.944 1103 T HN 0.881 nan 8.240 nan 0.000 0.516 1104 K N 0.643 121.169 120.400 0.210 0.000 2.020 1104 K HA -0.383 3.939 4.320 0.003 0.000 0.142 1104 K C 0.764 177.469 176.600 0.176 0.000 1.458 1104 K CA 1.858 58.239 56.287 0.156 0.000 0.544 1104 K CB -1.437 31.047 32.500 -0.025 0.000 0.566 1104 K HN 0.224 nan 8.250 nan 0.000 0.927 1105 E N 0.605 120.823 120.200 0.030 0.000 2.153 1105 E HA -0.041 4.311 4.350 0.003 0.000 0.194 1105 E C 2.099 178.719 176.600 0.034 0.000 0.988 1105 E CA 1.715 58.080 56.400 -0.060 0.000 0.811 1105 E CB -0.246 29.284 29.700 -0.283 0.000 0.746 1105 E HN 0.525 nan 8.360 nan 0.000 0.466 1106 A N 0.597 123.436 122.820 0.031 0.000 1.933 1106 A HA -0.056 4.266 4.320 0.003 0.000 0.218 1106 A C 2.392 180.013 177.584 0.062 0.000 1.175 1106 A CA 1.662 53.718 52.037 0.031 0.000 0.628 1106 A CB -1.154 17.857 19.000 0.018 0.000 0.814 1106 A HN 0.355 nan 8.150 nan 0.000 0.444 1107 G N -0.595 108.278 108.800 0.121 0.000 2.453 1107 G HA2 -0.197 3.764 3.960 0.003 0.000 0.215 1107 G HA3 -0.197 3.764 3.960 0.003 0.000 0.215 1107 G C 1.607 176.623 174.900 0.194 0.000 1.201 1107 G CA 1.754 46.959 45.100 0.175 0.000 0.784 1107 G HN 0.437 nan 8.290 nan 0.000 0.545 1108 T N 1.938 116.614 114.554 0.204 0.000 2.720 1108 T HA -0.066 4.285 4.350 0.003 0.000 0.268 1108 T C 2.766 177.564 174.700 0.165 0.000 1.037 1108 T CA 1.733 63.957 62.100 0.206 0.000 1.144 1108 T CB -0.491 68.558 68.868 0.302 0.000 0.864 1108 T HN 0.398 nan 8.240 nan 0.000 0.444 1109 A N 1.767 124.660 122.820 0.121 0.000 1.940 1109 A HA -0.137 4.184 4.320 0.003 0.000 0.219 1109 A C 2.295 179.907 177.584 0.048 0.000 1.176 1109 A CA 2.066 54.148 52.037 0.075 0.000 0.631 1109 A CB -0.585 18.441 19.000 0.043 0.000 0.814 1109 A HN 0.400 nan 8.150 nan 0.000 0.446 1110 R N 0.081 120.584 120.500 0.005 0.000 2.075 1110 R HA 0.000 4.342 4.340 0.003 0.000 0.232 1110 R C 2.156 178.464 176.300 0.014 0.000 1.126 1110 R CA 1.923 57.936 56.100 -0.146 0.000 0.963 1110 R CB -0.765 29.277 30.300 -0.431 0.000 0.858 1110 R HN 0.360 nan 8.270 nan 0.000 0.435 1111 A N -0.031 122.948 122.820 0.265 0.000 1.877 1111 A HA -0.104 4.217 4.320 0.003 0.000 0.216 1111 A C 2.337 180.167 177.584 0.409 0.000 1.186 1111 A CA 1.858 54.211 52.037 0.528 0.000 0.620 1111 A CB -0.832 18.439 19.000 0.451 0.000 0.822 1111 A HN 0.201 nan 8.150 nan 0.000 0.443 1112 V N -0.399 119.660 119.914 0.241 0.000 2.343 1112 V HA -0.203 3.919 4.120 0.003 0.000 0.247 1112 V C 2.835 179.052 176.094 0.206 0.000 1.051 1112 V CA 2.339 64.758 62.300 0.197 0.000 1.036 1112 V CB -0.726 31.161 31.823 0.107 0.000 0.654 1112 V HN 0.680 nan 8.190 nan 0.000 0.451 1113 S N -0.782 114.998 115.700 0.134 0.000 2.368 1113 S HA -0.191 4.281 4.470 0.003 0.000 0.224 1113 S C 2.015 176.685 174.600 0.117 0.000 1.029 1113 S CA 1.396 59.644 58.200 0.080 0.000 0.988 1113 S CB -0.239 62.970 63.200 0.015 0.000 0.838 1113 S HN 0.625 nan 8.310 nan 0.000 0.462 1114 E N 0.385 120.690 120.200 0.174 0.000 2.058 1114 E HA -0.141 4.211 4.350 0.003 0.000 0.194 1114 E C 1.773 178.610 176.600 0.396 0.000 0.997 1114 E CA 1.112 57.661 56.400 0.249 0.000 0.801 1114 E CB -0.601 29.294 29.700 0.326 0.000 0.746 1114 E HN 0.686 nan 8.360 nan 0.000 0.450 1115 F N 0.872 121.057 119.950 0.392 0.000 2.095 1115 F HA -0.111 4.418 4.527 0.002 0.000 0.298 1115 F C 1.270 177.122 175.800 0.087 0.000 1.104 1115 F CA 2.123 60.250 58.000 0.211 0.000 1.232 1115 F CB 0.028 39.040 39.000 0.020 0.000 0.987 1115 F HN 0.163 nan 8.300 nan 0.000 0.475 1116 G N 0.680 109.514 108.800 0.057 0.000 2.455 1116 G HA2 -0.016 3.946 3.960 0.003 0.000 0.169 1116 G HA3 -0.016 3.946 3.960 0.003 0.000 0.169 1116 G C -0.014 174.866 174.900 -0.033 0.000 1.074 1116 G CA 0.133 45.179 45.100 -0.089 0.000 0.796 1116 G HN 0.683 nan 8.290 nan 0.000 0.489 1117 T N -1.064 113.553 114.554 0.105 0.000 2.626 1117 T HA 0.757 5.109 4.350 0.003 0.000 0.279 1117 T C -0.227 174.407 174.700 -0.112 0.000 0.983 1117 T CA -0.554 61.546 62.100 -0.001 0.000 1.059 1117 T CB 1.108 70.014 68.868 0.064 0.000 1.396 1117 T HN 0.547 nan 8.240 nan 0.000 0.519 1118 I N 2.296 122.713 120.570 -0.256 0.000 2.353 1118 I HA 0.428 4.599 4.170 0.003 0.000 0.293 1118 I C -0.104 175.845 176.117 -0.280 0.000 0.992 1118 I CA -0.662 60.375 61.300 -0.437 0.000 1.268 1118 I CB 1.549 38.979 38.000 -0.950 0.000 1.387 1118 I HN 0.515 nan 8.210 nan 0.000 0.478 1119 M N 5.756 125.246 119.600 -0.183 0.000 2.146 1119 M HA 0.270 4.752 4.480 0.003 0.000 0.357 1119 M C -0.534 175.764 176.300 -0.002 0.000 1.261 1119 M CA 0.339 55.611 55.300 -0.048 0.000 1.106 1119 M CB 0.838 33.448 32.600 0.016 0.000 1.612 1119 M HN 0.427 nan 8.290 nan 0.000 0.470 1120 S N 6.408 122.146 115.700 0.062 0.000 2.422 1120 S HA 0.543 5.015 4.470 0.003 0.000 0.298 1120 S C -0.259 174.402 174.600 0.103 0.000 1.118 1120 S CA -0.593 57.692 58.200 0.142 0.000 1.083 1120 S CB -0.082 63.222 63.200 0.173 0.000 0.971 1120 S HN 0.680 nan 8.310 nan 0.000 0.478 1121 I N 2.788 123.443 120.570 0.142 0.000 2.325 1121 I HA 0.185 4.357 4.170 0.003 0.000 0.291 1121 I C 0.757 176.846 176.117 -0.047 0.000 1.019 1121 I CA -0.248 61.124 61.300 0.120 0.000 1.302 1121 I CB 1.235 39.442 38.000 0.345 0.000 1.401 1121 I HN 0.468 nan 8.210 nan 0.000 0.485 1122 S N 4.625 120.277 115.700 -0.080 0.000 2.549 1122 S HA 0.273 4.745 4.470 0.003 0.000 0.279 1122 S C 1.320 175.871 174.600 -0.081 0.000 1.321 1122 S CA -0.135 57.976 58.200 -0.147 0.000 1.054 1122 S CB 1.230 64.433 63.200 0.006 0.000 0.899 1122 S HN 0.736 nan 8.310 nan 0.000 0.497 1123 A N 5.056 127.763 122.820 -0.188 0.000 2.076 1123 A HA -0.020 4.302 4.320 0.003 0.000 0.220 1123 A C 0.899 178.682 177.584 0.331 0.000 1.160 1123 A CA 1.215 53.339 52.037 0.145 0.000 0.653 1123 A CB -0.534 18.559 19.000 0.155 0.000 0.801 1123 A HN 0.893 nan 8.150 nan 0.000 0.455 1124 Y N 0.452 120.832 120.300 0.134 0.000 2.645 1124 Y HA 0.308 4.861 4.550 0.005 0.000 0.307 1124 Y C 1.264 177.163 175.900 -0.002 0.000 1.151 1124 Y CA -1.007 57.116 58.100 0.039 0.000 1.291 1124 Y CB -1.200 37.291 38.460 0.053 0.000 1.135 1124 Y HN 0.214 nan 8.280 nan 0.000 0.523 1125 S N 0.052 115.818 115.700 0.110 0.000 2.560 1125 S HA 0.185 4.656 4.470 0.003 0.000 0.284 1125 S C 1.625 176.214 174.600 -0.018 0.000 1.327 1125 S CA 0.295 58.490 58.200 -0.009 0.000 1.055 1125 S CB 0.828 63.962 63.200 -0.110 0.000 0.868 1125 S HN 0.646 nan 8.310 nan 0.000 0.506 1126 G N 2.851 111.638 108.800 -0.021 0.000 2.744 1126 G HA2 0.404 4.366 3.960 0.003 0.000 0.211 1126 G HA3 0.404 4.366 3.960 0.003 0.000 0.211 1126 G C 0.336 175.123 174.900 -0.188 0.000 1.143 1126 G CA 0.396 45.432 45.100 -0.106 0.000 0.788 1126 G HN 1.025 nan 8.290 nan 0.000 0.534 1127 A N 0.143 122.861 122.820 -0.170 0.000 2.337 1127 A HA 0.725 5.046 4.320 0.003 0.000 0.331 1127 A C 0.514 177.996 177.584 -0.169 0.000 1.137 1127 A CA -0.030 51.914 52.037 -0.155 0.000 0.807 1127 A CB 0.824 19.743 19.000 -0.136 0.000 1.250 1127 A HN 0.365 nan 8.150 nan 0.000 0.468 1128 T N -1.407 113.068 114.554 -0.131 0.000 2.828 1128 T HA 0.405 4.757 4.350 0.003 0.000 0.290 1128 T C 0.687 175.315 174.700 -0.121 0.000 1.019 1128 T CA -0.042 61.974 62.100 -0.140 0.000 1.031 1128 T CB 0.047 68.890 68.868 -0.042 0.000 1.001 1128 T HN 0.325 nan 8.240 nan 0.000 0.531 1129 F N 0.913 120.857 119.950 -0.010 0.000 2.161 1129 F HA -0.004 4.526 4.527 0.005 0.000 0.300 1129 F C 2.474 178.268 175.800 -0.010 0.000 1.089 1129 F CA 1.578 59.572 58.000 -0.011 0.000 1.282 1129 F CB -0.857 38.122 39.000 -0.036 0.000 1.010 1129 F HN 0.608 nan 8.300 nan 0.000 0.485 1130 E N 0.222 120.523 120.200 0.168 0.000 2.051 1130 E HA -0.191 4.161 4.350 0.003 0.000 0.192 1130 E C 2.047 178.677 176.600 0.050 0.000 0.991 1130 E CA 1.607 58.061 56.400 0.089 0.000 0.799 1130 E CB -0.430 29.306 29.700 0.060 0.000 0.748 1130 E HN 0.452 nan 8.360 nan 0.000 0.449 1131 E N 0.124 120.339 120.200 0.024 0.000 2.106 1131 E HA -0.124 4.228 4.350 0.003 0.000 0.192 1131 E C 2.112 178.716 176.600 0.007 0.000 0.984 1131 E CA 0.868 57.270 56.400 0.003 0.000 0.806 1131 E CB -0.138 29.548 29.700 -0.022 0.000 0.750 1131 E HN 0.277 nan 8.360 nan 0.000 0.458 1132 I N 0.543 121.123 120.570 0.016 0.000 2.179 1132 I HA -0.255 3.917 4.170 0.003 0.000 0.242 1132 I C 2.617 178.763 176.117 0.048 0.000 1.088 1132 I CA 0.693 62.012 61.300 0.031 0.000 1.357 1132 I CB -0.353 37.672 38.000 0.042 0.000 1.051 1132 I HN 0.037 nan 8.210 nan 0.000 0.409 1133 S N 0.385 116.129 115.700 0.073 0.000 2.387 1133 S HA -0.235 4.236 4.470 0.003 0.000 0.230 1133 S C 1.890 176.503 174.600 0.022 0.000 1.035 1133 S CA 1.669 59.904 58.200 0.058 0.000 1.014 1133 S CB -0.274 62.967 63.200 0.067 0.000 0.836 1133 S HN 0.433 nan 8.310 nan 0.000 0.466 1134 E N -0.128 120.080 120.200 0.013 0.000 2.085 1134 E HA -0.119 4.233 4.350 0.003 0.000 0.194 1134 E C 2.298 178.878 176.600 -0.033 0.000 0.994 1134 E CA 1.035 57.430 56.400 -0.009 0.000 0.801 1134 E CB -0.539 29.155 29.700 -0.009 0.000 0.743 1134 E HN 0.633 nan 8.360 nan 0.000 0.453 1135 G N 1.089 109.871 108.800 -0.030 0.000 2.408 1135 G HA2 -0.203 3.758 3.960 0.003 0.000 0.217 1135 G HA3 -0.203 3.758 3.960 0.003 0.000 0.217 1135 G C 1.569 176.430 174.900 -0.065 0.000 1.150 1135 G CA 0.342 45.406 45.100 -0.061 0.000 0.776 1135 G HN 0.078 nan 8.290 nan 0.000 0.542 1136 L N -0.369 120.841 121.223 -0.023 0.000 2.240 1136 L HA 0.085 4.427 4.340 0.003 0.000 0.211 1136 L C 1.338 178.194 176.870 -0.023 0.000 1.106 1136 L CA 0.231 55.064 54.840 -0.012 0.000 0.793 1136 L CB -0.305 41.765 42.059 0.018 0.000 0.927 1136 L HN 0.276 nan 8.230 nan 0.000 0.446 1137 N N 0.662 119.346 118.700 -0.026 0.000 2.714 1137 N HA -0.235 4.507 4.740 0.003 0.000 0.252 1137 N C 0.886 176.389 175.510 -0.013 0.000 1.014 1137 N CA 0.694 53.726 53.050 -0.029 0.000 0.735 1137 N CB -0.689 37.765 38.487 -0.056 0.000 0.924 1137 N HN 0.664 nan 8.380 nan 0.000 0.540 1138 G N -2.206 106.595 108.800 0.002 0.000 2.175 1138 G HA2 -0.200 3.761 3.960 0.003 0.000 0.244 1138 G HA3 -0.200 3.761 3.960 0.003 0.000 0.244 1138 G C 0.486 175.396 174.900 0.017 0.000 0.982 1138 G CA 0.568 45.675 45.100 0.012 0.000 0.641 1138 G HN 0.824 nan 8.290 nan 0.000 0.527 1139 G N 0.657 109.462 108.800 0.008 0.000 2.569 1139 G HA2 0.595 4.557 3.960 0.003 0.000 0.249 1139 G HA3 0.595 4.557 3.960 0.003 0.000 0.249 1139 G C -1.488 173.408 174.900 -0.007 0.000 1.216 1139 G CA -0.272 44.827 45.100 -0.000 0.000 0.845 1139 G HN 0.303 nan 8.290 nan 0.000 0.568 1140 P HA 0.250 nan 4.420 nan 0.000 0.275 1140 P C -0.697 176.512 177.300 -0.151 0.000 1.228 1140 P CA -0.111 62.912 63.100 -0.129 0.000 0.786 1140 P CB 1.109 32.579 31.700 -0.383 0.000 0.927 1141 R N 1.626 122.103 120.500 -0.038 0.000 2.698 1141 R HA 0.532 4.874 4.340 0.003 0.000 0.275 1141 R C -1.751 174.747 176.300 0.330 0.000 1.001 1141 R CA -0.532 55.605 56.100 0.062 0.000 0.896 1141 R CB 0.745 31.132 30.300 0.146 0.000 1.218 1141 R HN 0.338 nan 8.270 nan 0.000 0.462 1142 W N 1.907 123.275 121.300 0.114 0.000 2.736 1142 W HA 0.521 5.182 4.660 0.001 0.000 0.335 1142 W C -0.913 175.739 176.519 0.221 0.000 1.059 1142 W CA -1.675 55.770 57.345 0.167 0.000 1.226 1142 W CB 1.359 30.902 29.460 0.139 0.000 1.416 1142 W HN 0.538 nan 8.180 nan 0.000 0.505 1143 F N 3.859 123.983 119.950 0.290 0.000 2.444 1143 F HA 0.318 4.845 4.527 0.001 0.000 0.342 1143 F C 0.262 176.124 175.800 0.103 0.000 1.121 1143 F CA -0.615 57.509 58.000 0.206 0.000 0.997 1143 F CB 1.163 40.295 39.000 0.220 0.000 1.130 1143 F HN 0.122 nan 8.300 nan 0.000 0.454 1144 Q N 7.632 126.905 119.800 -0.879 0.000 2.331 1144 Q HA 0.340 4.681 4.340 0.003 0.000 0.257 1144 Q C -1.290 173.973 176.000 -1.230 0.000 0.957 1144 Q CA -0.661 54.630 55.803 -0.853 0.000 0.923 1144 Q CB 0.992 29.339 28.738 -0.652 0.000 1.212 1144 Q HN 0.762 nan 8.270 nan 0.000 0.443 1145 I N 2.775 122.915 120.570 -0.717 0.000 2.385 1145 I HA 0.272 4.443 4.170 0.003 0.000 0.294 1145 I C -0.731 175.184 176.117 -0.337 0.000 0.988 1145 I CA -0.756 60.347 61.300 -0.329 0.000 1.265 1145 I CB 0.546 38.581 38.000 0.057 0.000 1.388 1145 I HN 0.330 nan 8.210 nan 0.000 0.480 1146 Y N 5.604 125.852 120.300 -0.087 0.000 2.367 1146 Y HA 0.495 5.046 4.550 0.002 0.000 0.342 1146 Y C 0.342 176.325 175.900 0.139 0.000 0.979 1146 Y CA -0.734 57.355 58.100 -0.019 0.000 1.161 1146 Y CB 1.110 39.502 38.460 -0.114 0.000 1.155 1146 Y HN 0.498 nan 8.280 nan 0.000 0.503 1147 M N 3.227 122.947 119.600 0.200 0.000 2.245 1147 M HA 0.288 4.769 4.480 0.003 0.000 0.344 1147 M C 0.577 176.806 176.300 -0.119 0.000 1.170 1147 M CA -0.151 55.196 55.300 0.079 0.000 1.135 1147 M CB 0.536 33.149 32.600 0.022 0.000 1.574 1147 M HN 0.772 nan 8.290 nan 0.000 0.452 1148 A N 3.363 126.027 122.820 -0.261 0.000 2.366 1148 A HA 0.160 4.482 4.320 0.003 0.000 0.249 1148 A C 0.834 178.221 177.584 -0.328 0.000 1.084 1148 A CA -0.211 51.421 52.037 -0.676 0.000 0.794 1148 A CB 0.379 19.184 19.000 -0.325 0.000 1.034 1148 A HN 0.961 nan 8.150 nan 0.000 0.491 1149 K N -0.008 120.204 120.400 -0.314 0.000 2.217 1149 K HA -0.078 4.243 4.320 0.003 0.000 0.202 1149 K C -0.126 176.419 176.600 -0.093 0.000 1.051 1149 K CA 1.114 57.313 56.287 -0.147 0.000 0.952 1149 K CB -0.064 32.372 32.500 -0.107 0.000 0.736 1149 K HN 0.846 nan 8.250 nan 0.000 0.453 1150 D N 0.936 121.283 120.400 -0.088 0.000 2.317 1150 D HA -0.009 4.633 4.640 0.003 0.000 0.252 1150 D C 0.355 176.635 176.300 -0.033 0.000 1.174 1150 D CA -0.206 53.771 54.000 -0.038 0.000 0.866 1150 D CB 1.055 41.852 40.800 -0.004 0.000 1.127 1150 D HN -0.072 nan 8.370 nan 0.000 0.467 1151 D N 2.387 122.768 120.400 -0.031 0.000 2.117 1151 D HA -0.192 4.449 4.640 0.003 0.000 0.197 1151 D C 1.535 177.806 176.300 -0.048 0.000 0.987 1151 D CA 0.925 54.901 54.000 -0.040 0.000 0.829 1151 D CB -0.009 40.769 40.800 -0.036 0.000 0.961 1151 D HN 0.619 nan 8.370 nan 0.000 0.460 1152 Q N 0.374 120.157 119.800 -0.029 0.000 2.050 1152 Q HA -0.194 4.148 4.340 0.003 0.000 0.202 1152 Q C 2.095 178.088 176.000 -0.011 0.000 0.980 1152 Q CA 1.285 57.072 55.803 -0.027 0.000 0.840 1152 Q CB 0.068 28.803 28.738 -0.005 0.000 0.898 1152 Q HN 0.341 nan 8.270 nan 0.000 0.424 1153 Q N 0.082 119.896 119.800 0.023 0.000 2.112 1153 Q HA -0.210 4.132 4.340 0.003 0.000 0.206 1153 Q C 1.765 177.811 176.000 0.078 0.000 0.987 1153 Q CA 1.807 57.654 55.803 0.073 0.000 0.858 1153 Q CB -0.242 28.572 28.738 0.128 0.000 0.905 1153 Q HN 0.548 nan 8.270 nan 0.000 0.420 1154 N N 0.267 118.988 118.700 0.035 0.000 2.069 1154 N HA -0.148 4.594 4.740 0.003 0.000 0.191 1154 N C 1.772 177.254 175.510 -0.046 0.000 1.031 1154 N CA 0.867 53.934 53.050 0.029 0.000 0.852 1154 N CB -0.063 38.423 38.487 -0.002 0.000 1.018 1154 N HN 0.144 nan 8.380 nan 0.000 0.423 1155 R N 0.648 121.044 120.500 -0.174 0.000 2.091 1155 R HA -0.111 4.230 4.340 0.003 0.000 0.238 1155 R C 1.140 177.377 176.300 -0.105 0.000 1.136 1155 R CA 1.306 57.164 56.100 -0.402 0.000 0.959 1155 R CB -0.222 29.813 30.300 -0.441 0.000 0.856 1155 R HN 0.335 nan 8.270 nan 0.000 0.437 1156 D N 0.546 120.933 120.400 -0.022 0.000 2.117 1156 D HA -0.093 4.549 4.640 0.003 0.000 0.198 1156 D C 1.949 178.273 176.300 0.039 0.000 0.982 1156 D CA 0.979 54.996 54.000 0.029 0.000 0.828 1156 D CB -0.189 40.636 40.800 0.042 0.000 0.967 1156 D HN 0.171 nan 8.370 nan 0.000 0.464 1157 I N 0.689 121.302 120.570 0.072 0.000 2.163 1157 I HA -0.258 3.914 4.170 0.003 0.000 0.243 1157 I C 2.396 178.500 176.117 -0.022 0.000 1.085 1157 I CA 0.832 62.185 61.300 0.089 0.000 1.347 1157 I CB -0.160 37.973 38.000 0.221 0.000 1.044 1157 I HN -0.027 nan 8.210 nan 0.000 0.408 1158 L N -0.036 121.216 121.223 0.048 0.000 2.046 1158 L HA -0.237 4.105 4.340 0.003 0.000 0.208 1158 L C 2.151 179.021 176.870 0.001 0.000 1.077 1158 L CA 1.205 56.083 54.840 0.062 0.000 0.747 1158 L CB -0.754 41.423 42.059 0.196 0.000 0.896 1158 L HN 0.245 nan 8.230 nan 0.000 0.432 1159 D N 0.122 120.554 120.400 0.054 0.000 2.123 1159 D HA -0.183 4.458 4.640 0.003 0.000 0.196 1159 D C 2.161 178.384 176.300 -0.128 0.000 0.992 1159 D CA 1.194 55.201 54.000 0.011 0.000 0.833 1159 D CB -0.008 40.830 40.800 0.064 0.000 0.954 1159 D HN 0.377 nan 8.370 nan 0.000 0.455 1160 E N 0.325 120.411 120.200 -0.189 0.000 2.072 1160 E HA -0.088 4.264 4.350 0.003 0.000 0.191 1160 E C 2.109 178.246 176.600 -0.772 0.000 0.985 1160 E CA 0.921 57.113 56.400 -0.347 0.000 0.801 1160 E CB -0.040 29.541 29.700 -0.200 0.000 0.750 1160 E HN 0.189 nan 8.360 nan 0.000 0.452 1161 A N 1.700 124.015 122.820 -0.842 0.000 1.883 1161 A HA -0.262 4.059 4.320 0.003 0.000 0.217 1161 A C 2.074 179.383 177.584 -0.459 0.000 1.186 1161 A CA 1.834 53.304 52.037 -0.945 0.000 0.624 1161 A CB -0.405 18.124 19.000 -0.785 0.000 0.822 1161 A HN 0.077 nan 8.150 nan 0.000 0.444 1162 K N -0.649 119.598 120.400 -0.255 0.000 2.057 1162 K HA -0.099 4.222 4.320 0.003 0.000 0.206 1162 K C 2.336 178.853 176.600 -0.138 0.000 1.050 1162 K CA 1.401 57.613 56.287 -0.125 0.000 0.935 1162 K CB -0.232 32.227 32.500 -0.069 0.000 0.715 1162 K HN 0.392 nan 8.250 nan 0.000 0.439 1163 S N 0.902 116.491 115.700 -0.184 0.000 2.383 1163 S HA -0.205 4.266 4.470 0.003 0.000 0.229 1163 S C 1.575 176.079 174.600 -0.159 0.000 1.030 1163 S CA 1.998 60.108 58.200 -0.150 0.000 1.002 1163 S CB -0.416 62.695 63.200 -0.148 0.000 0.829 1163 S HN 0.514 nan 8.310 nan 0.000 0.467 1164 D N -0.753 119.484 120.400 -0.272 0.000 2.310 1164 D HA 0.073 4.715 4.640 0.003 0.000 0.212 1164 D C 1.161 177.409 176.300 -0.087 0.000 0.965 1164 D CA 1.331 55.201 54.000 -0.216 0.000 0.879 1164 D CB -0.217 40.326 40.800 -0.428 0.000 0.921 1164 D HN 0.542 nan 8.370 nan 0.000 0.510 1165 G N -1.295 107.465 108.800 -0.067 0.000 2.227 1165 G HA2 -0.040 3.922 3.960 0.003 0.000 0.168 1165 G HA3 -0.040 3.922 3.960 0.003 0.000 0.168 1165 G C 0.356 175.307 174.900 0.085 0.000 1.006 1165 G CA -0.021 45.090 45.100 0.019 0.000 0.684 1165 G HN 0.570 nan 8.290 nan 0.000 0.489 1166 A N 0.832 123.698 122.820 0.077 0.000 2.540 1166 A HA 0.560 4.881 4.320 0.003 0.000 0.239 1166 A C 1.449 179.159 177.584 0.211 0.000 1.061 1166 A CA 1.740 53.896 52.037 0.198 0.000 0.758 1166 A CB 0.188 19.320 19.000 0.221 0.000 0.991 1166 A HN 1.419 nan 8.150 nan 0.000 0.502 1167 T N -1.120 113.641 114.554 0.346 0.000 3.040 1167 T HA 0.596 4.948 4.350 0.003 0.000 0.266 1167 T C 0.220 175.044 174.700 0.207 0.000 1.005 1167 T CA 0.494 62.790 62.100 0.325 0.000 0.906 1167 T CB -0.050 69.128 68.868 0.516 0.000 1.082 1167 T HN 1.743 nan 8.240 nan 0.000 0.531 1168 A N 1.102 123.956 122.820 0.058 0.000 2.606 1168 A HA 0.723 5.045 4.320 0.003 0.000 0.293 1168 A C -1.715 175.847 177.584 -0.038 0.000 1.082 1168 A CA -0.891 51.004 52.037 -0.236 0.000 0.685 1168 A CB 1.177 19.555 19.000 -1.036 0.000 1.284 1168 A HN 0.230 nan 8.150 nan 0.000 0.408 1169 I N 1.368 121.940 120.570 0.002 0.000 2.433 1169 I HA 0.421 4.593 4.170 0.003 0.000 0.292 1169 I C -0.677 175.479 176.117 0.065 0.000 1.001 1169 I CA -0.453 60.903 61.300 0.092 0.000 1.119 1169 I CB 1.354 39.424 38.000 0.117 0.000 1.289 1169 I HN 0.519 nan 8.210 nan 0.000 0.438 1170 I N 6.300 126.868 120.570 -0.003 0.000 2.328 1170 I HA 0.222 4.393 4.170 0.003 0.000 0.287 1170 I C -0.242 175.759 176.117 -0.194 0.000 1.012 1170 I CA -0.714 60.534 61.300 -0.087 0.000 1.195 1170 I CB 1.487 39.314 38.000 -0.289 0.000 1.350 1170 I HN 0.297 nan 8.210 nan 0.000 0.464 1171 L N 7.201 128.354 121.223 -0.117 0.000 2.283 1171 L HA 0.365 4.707 4.340 0.003 0.000 0.287 1171 L C 0.081 176.824 176.870 -0.211 0.000 1.073 1171 L CA 0.537 55.288 54.840 -0.149 0.000 0.822 1171 L CB 0.752 42.776 42.059 -0.059 0.000 1.186 1171 L HN 0.503 nan 8.230 nan 0.000 0.436 1172 T N 5.386 119.740 114.554 -0.333 0.000 2.749 1172 T HA 0.500 4.851 4.350 0.003 0.000 0.295 1172 T C 0.777 175.407 174.700 -0.117 0.000 0.936 1172 T CA 0.262 62.179 62.100 -0.305 0.000 1.060 1172 T CB 1.174 69.732 68.868 -0.516 0.000 0.904 1172 T HN 0.748 nan 8.240 nan 0.000 0.500 1173 A N 2.628 125.413 122.820 -0.059 0.000 2.571 1173 A HA 0.249 4.571 4.320 0.003 0.000 0.274 1173 A C 1.235 178.808 177.584 -0.019 0.000 1.196 1173 A CA -0.445 51.579 52.037 -0.022 0.000 0.957 1173 A CB 0.184 19.171 19.000 -0.021 0.000 1.150 1173 A HN 0.739 nan 8.150 nan 0.000 0.539 1174 D N -1.067 119.327 120.400 -0.009 0.000 2.368 1174 D HA 0.150 4.792 4.640 0.003 0.000 0.218 1174 D C 0.237 176.465 176.300 -0.120 0.000 1.112 1174 D CA 0.391 54.377 54.000 -0.025 0.000 0.834 1174 D CB -0.053 40.763 40.800 0.027 0.000 0.953 1174 D HN 0.018 nan 8.370 nan 0.000 0.505 1175 S N -0.459 115.129 115.700 -0.186 0.000 2.835 1175 S HA 0.061 4.533 4.470 0.003 0.000 0.248 1175 S C 1.394 175.703 174.600 -0.485 0.000 1.070 1175 S CA -0.096 57.795 58.200 -0.516 0.000 1.090 1175 S CB 0.558 63.305 63.200 -0.755 0.000 0.978 1175 S HN 0.431 nan 8.310 nan 0.000 0.510 1176 T N -0.123 114.296 114.554 -0.225 0.000 2.881 1176 T HA 0.004 4.355 4.350 0.003 0.000 0.270 1176 T C 0.891 175.517 174.700 -0.124 0.000 1.068 1176 T CA 1.070 63.090 62.100 -0.134 0.000 1.131 1176 T CB -0.480 68.349 68.868 -0.065 0.000 0.871 1176 T HN 0.382 nan 8.240 nan 0.000 0.479 1177 V N -2.135 117.691 119.914 -0.147 0.000 3.074 1177 V HA 0.777 4.898 4.120 0.003 0.000 0.314 1177 V C 0.062 176.084 176.094 -0.120 0.000 1.117 1177 V CA -1.354 60.904 62.300 -0.070 0.000 1.014 1177 V CB 1.578 33.398 31.823 -0.005 0.000 1.057 1177 V HN 0.177 nan 8.190 nan 0.000 0.438 1178 S N 1.019 116.784 115.700 0.108 0.000 2.572 1178 S HA 0.526 4.998 4.470 0.003 0.000 0.279 1178 S C 0.654 175.298 174.600 0.073 0.000 1.341 1178 S CA 0.316 58.643 58.200 0.211 0.000 1.043 1178 S CB 0.296 63.707 63.200 0.353 0.000 0.887 1178 S HN 1.785 nan 8.310 nan 0.000 0.516 1179 G N 2.526 111.362 108.800 0.059 0.000 2.667 1179 G HA2 0.153 4.115 3.960 0.003 0.000 0.250 1179 G HA3 0.153 4.115 3.960 0.003 0.000 0.250 1179 G C 0.026 174.959 174.900 0.054 0.000 1.212 1179 G CA -0.750 44.376 45.100 0.045 0.000 0.874 1179 G HN 0.896 nan 8.290 nan 0.000 0.561 1180 N N 0.476 119.198 118.700 0.038 0.000 2.739 1180 N HA 0.029 4.771 4.740 0.003 0.000 0.266 1180 N C -0.224 175.282 175.510 -0.006 0.000 1.168 1180 N CA -0.160 52.894 53.050 0.007 0.000 1.055 1180 N CB 0.439 38.910 38.487 -0.027 0.000 1.393 1180 N HN 0.376 nan 8.380 nan 0.000 0.514 1181 R N 1.256 121.764 120.500 0.014 0.000 2.608 1181 R HA 0.077 4.419 4.340 0.003 0.000 0.277 1181 R C -0.094 176.204 176.300 -0.004 0.000 1.341 1181 R CA -0.455 55.645 56.100 0.001 0.000 1.199 1181 R CB 0.304 30.606 30.300 0.003 0.000 1.156 1181 R HN 0.310 nan 8.270 nan 0.000 0.558 1182 D N 2.021 122.408 120.400 -0.021 0.000 2.133 1182 D HA -0.195 4.447 4.640 0.003 0.000 0.195 1182 D C 1.638 177.942 176.300 0.006 0.000 0.997 1182 D CA 1.519 55.511 54.000 -0.014 0.000 0.840 1182 D CB 0.196 40.978 40.800 -0.030 0.000 0.947 1182 D HN 0.371 nan 8.370 nan 0.000 0.452 1183 R N 0.435 120.934 120.500 -0.002 0.000 2.083 1183 R HA -0.128 4.214 4.340 0.003 0.000 0.237 1183 R C 1.625 177.943 176.300 0.029 0.000 1.137 1183 R CA 1.413 57.516 56.100 0.006 0.000 0.951 1183 R CB -0.347 29.931 30.300 -0.037 0.000 0.851 1183 R HN 0.268 nan 8.270 nan 0.000 0.434 1184 D N 0.237 120.652 120.400 0.025 0.000 2.144 1184 D HA -0.090 4.551 4.640 0.003 0.000 0.200 1184 D C 2.056 178.415 176.300 0.097 0.000 0.978 1184 D CA 0.834 54.887 54.000 0.088 0.000 0.833 1184 D CB -0.224 40.640 40.800 0.106 0.000 0.961 1184 D HN 0.003 nan 8.370 nan 0.000 0.470 1185 V N 1.081 121.031 119.914 0.060 0.000 2.295 1185 V HA -0.245 3.876 4.120 0.003 0.000 0.246 1185 V C 2.319 178.442 176.094 0.050 0.000 1.049 1185 V CA 1.640 63.969 62.300 0.047 0.000 1.024 1185 V CB -0.359 31.480 31.823 0.028 0.000 0.648 1185 V HN 0.155 nan 8.190 nan 0.000 0.447 1186 K N 0.086 120.518 120.400 0.052 0.000 2.148 1186 K HA -0.104 4.217 4.320 0.003 0.000 0.204 1186 K C 1.589 178.240 176.600 0.085 0.000 1.050 1186 K CA 1.644 57.967 56.287 0.060 0.000 0.942 1186 K CB -0.231 32.304 32.500 0.060 0.000 0.724 1186 K HN 0.591 nan 8.250 nan 0.000 0.446 1187 N N 0.516 119.282 118.700 0.111 0.000 2.336 1187 N HA 0.028 4.769 4.740 0.003 0.000 0.189 1187 N C -0.820 174.762 175.510 0.121 0.000 1.113 1187 N CA -0.086 53.054 53.050 0.150 0.000 0.858 1187 N CB 0.338 38.945 38.487 0.199 0.000 0.970 1187 N HN -0.026 nan 8.380 nan 0.000 0.471 1188 K N 0.938 121.388 120.400 0.084 0.000 3.278 1188 K HA -0.233 4.088 4.320 0.003 0.000 0.270 1188 K C -0.592 176.020 176.600 0.020 0.000 0.955 1188 K CA 0.166 56.476 56.287 0.039 0.000 0.723 1188 K CB -1.779 30.726 32.500 0.008 0.000 1.382 1188 K HN 0.271 nan 8.250 nan 0.000 0.461 1189 F N 0.640 120.551 119.950 -0.066 0.000 2.572 1189 F HA 0.240 4.771 4.527 0.006 0.000 0.370 1189 F C 0.337 175.996 175.800 -0.234 0.000 1.103 1189 F CA 0.007 57.921 58.000 -0.143 0.000 1.286 1189 F CB 0.706 39.615 39.000 -0.152 0.000 1.105 1189 F HN -0.089 nan 8.300 nan 0.000 0.583 1190 V N 6.093 125.129 119.914 -1.463 0.000 2.932 1190 V HA 0.210 4.332 4.120 0.003 0.000 0.307 1190 V C -1.217 173.936 176.094 -1.569 0.000 1.147 1190 V CA -1.058 60.550 62.300 -1.152 0.000 0.951 1190 V CB 1.917 33.421 31.823 -0.531 0.000 1.031 1190 V HN 0.560 nan 8.190 nan 0.000 0.426 1191 Y N 5.264 124.968 120.300 -0.994 0.000 2.620 1191 Y HA 0.173 4.723 4.550 -0.000 0.000 0.330 1191 Y C -1.165 174.277 175.900 -0.763 0.000 1.186 1191 Y CA -1.139 56.414 58.100 -0.911 0.000 1.467 1191 Y CB 0.479 38.514 38.460 -0.708 0.000 1.262 1191 Y HN 0.447 nan 8.280 nan 0.000 0.550 1192 P HA 0.019 nan 4.420 nan 0.000 0.255 1192 P C -0.816 176.329 177.300 -0.258 0.000 1.248 1192 P CA 0.640 63.474 63.100 -0.444 0.000 0.807 1192 P CB 0.069 31.527 31.700 -0.404 0.000 1.150 1193 F N -2.673 117.227 119.950 -0.084 0.000 2.754 1193 F HA 0.779 5.301 4.527 -0.008 0.000 0.320 1193 F C 0.177 175.919 175.800 -0.097 0.000 1.156 1193 F CA -1.780 56.178 58.000 -0.071 0.000 0.950 1193 F CB 0.032 38.998 39.000 -0.056 0.000 1.388 1193 F HN -0.211 nan 8.300 nan 0.000 0.485 1194 G N 0.075 109.003 108.800 0.212 0.000 2.547 1194 G HA2 0.569 4.530 3.960 0.003 0.000 0.291 1194 G HA3 0.569 4.530 3.960 0.003 0.000 0.291 1194 G C -1.271 173.654 174.900 0.043 0.000 1.211 1194 G CA -1.073 44.051 45.100 0.041 0.000 0.950 1194 G HN 0.615 nan 8.290 nan 0.000 0.504 1195 M N 2.211 121.752 119.600 -0.098 0.000 2.027 1195 M HA 0.224 4.706 4.480 0.003 0.000 0.329 1195 M C -1.593 174.641 176.300 -0.111 0.000 0.971 1195 M CA -1.716 53.516 55.300 -0.113 0.000 0.933 1195 M CB 2.772 35.236 32.600 -0.227 0.000 1.392 1195 M HN 0.357 nan 8.290 nan 0.000 0.394 1196 P HA -0.154 nan 4.420 nan 0.000 0.216 1196 P C 1.159 178.411 177.300 -0.080 0.000 1.150 1196 P CA 1.665 64.716 63.100 -0.082 0.000 0.837 1196 P CB 0.221 31.870 31.700 -0.084 0.000 0.786 1197 I N -0.253 120.261 120.570 -0.093 0.000 2.353 1197 I HA -0.133 4.039 4.170 0.003 0.000 0.248 1197 I C 2.241 178.359 176.117 0.003 0.000 1.119 1197 I CA 1.316 62.589 61.300 -0.045 0.000 1.417 1197 I CB -0.487 37.472 38.000 -0.070 0.000 1.078 1197 I HN -0.121 nan 8.210 nan 0.000 0.421 1198 V N -3.000 116.863 119.914 -0.085 0.000 3.578 1198 V HA 0.084 4.205 4.120 0.003 0.000 0.290 1198 V C 1.971 177.772 176.094 -0.487 0.000 1.376 1198 V CA 0.109 62.208 62.300 -0.336 0.000 1.083 1198 V CB -0.092 31.483 31.823 -0.413 0.000 0.911 1198 V HN 0.353 nan 8.190 nan 0.000 0.433 1199 Q N 2.134 121.778 119.800 -0.260 0.000 2.197 1199 Q HA -0.290 4.051 4.340 0.003 0.000 0.211 1199 Q C 2.435 178.346 176.000 -0.150 0.000 0.993 1199 Q CA 2.809 58.492 55.803 -0.201 0.000 0.883 1199 Q CB -0.141 28.527 28.738 -0.116 0.000 0.916 1199 Q HN 0.866 nan 8.270 nan 0.000 0.418 1200 R N 0.118 120.560 120.500 -0.097 0.000 2.170 1200 R HA -0.197 4.144 4.340 0.003 0.000 0.242 1200 R C 1.344 177.695 176.300 0.086 0.000 1.145 1200 R CA 1.892 57.998 56.100 0.010 0.000 0.984 1200 R CB -0.888 29.452 30.300 0.066 0.000 0.869 1200 R HN 0.614 nan 8.270 nan 0.000 0.455 1201 Y N -1.632 118.686 120.300 0.030 0.000 2.584 1201 Y HA 0.450 5.005 4.550 0.008 0.000 0.254 1201 Y C 1.305 177.208 175.900 0.006 0.000 1.177 1201 Y CA -0.662 57.454 58.100 0.027 0.000 1.216 1201 Y CB 0.199 38.689 38.460 0.050 0.000 1.172 1201 Y HN -0.168 nan 8.280 nan 0.000 0.529 1202 L N 0.373 121.583 121.223 -0.022 0.000 2.607 1202 L HA 0.276 4.618 4.340 0.003 0.000 0.228 1202 L C 0.556 177.418 176.870 -0.013 0.000 1.123 1202 L CA -0.090 54.726 54.840 -0.040 0.000 0.890 1202 L CB -0.047 41.912 42.059 -0.167 0.000 1.103 1202 L HN 0.217 nan 8.230 nan 0.000 0.468 1203 R N 0.879 121.383 120.500 0.007 0.000 3.267 1203 R HA -0.159 4.183 4.340 0.003 0.000 0.254 1203 R C 0.266 176.555 176.300 -0.018 0.000 0.993 1203 R CA 0.559 56.662 56.100 0.005 0.000 0.670 1203 R CB -1.366 28.944 30.300 0.017 0.000 1.125 1203 R HN 0.650 nan 8.270 nan 0.000 0.434 1204 G N -1.684 107.097 108.800 -0.031 0.000 2.255 1204 G HA2 -0.069 3.893 3.960 0.003 0.000 0.216 1204 G HA3 -0.069 3.893 3.960 0.003 0.000 0.216 1204 G C -0.714 174.145 174.900 -0.068 0.000 1.307 1204 G CA -0.337 44.737 45.100 -0.043 0.000 1.162 1204 G HN 0.227 nan 8.290 nan 0.000 0.494 1205 T N 0.432 114.939 114.554 -0.078 0.000 2.912 1205 T HA 0.637 4.988 4.350 0.003 0.000 0.288 1205 T C 1.453 176.074 174.700 -0.132 0.000 1.030 1205 T CA 0.888 62.930 62.100 -0.097 0.000 1.020 1205 T CB 1.523 70.350 68.868 -0.069 0.000 1.056 1205 T HN 1.672 nan 8.240 nan 0.000 0.480 1206 A N 1.480 124.190 122.820 -0.183 0.000 2.070 1206 A HA -0.068 4.253 4.320 0.003 0.000 0.220 1206 A C 1.982 179.455 177.584 -0.185 0.000 1.159 1206 A CA 1.883 53.770 52.037 -0.250 0.000 0.656 1206 A CB -0.597 18.160 19.000 -0.405 0.000 0.800 1206 A HN 0.968 nan 8.150 nan 0.000 0.453 1207 E N -0.258 119.858 120.200 -0.140 0.000 2.058 1207 E HA -0.166 4.185 4.350 0.003 0.000 0.194 1207 E C 1.867 178.382 176.600 -0.142 0.000 0.997 1207 E CA 1.190 57.511 56.400 -0.132 0.000 0.801 1207 E CB -0.436 29.217 29.700 -0.077 0.000 0.746 1207 E HN 0.503 nan 8.360 nan 0.000 0.450 1208 G N 0.121 108.851 108.800 -0.117 0.000 2.776 1208 G HA2 -0.010 3.952 3.960 0.003 0.000 0.209 1208 G HA3 -0.010 3.952 3.960 0.003 0.000 0.209 1208 G C 0.537 175.350 174.900 -0.145 0.000 1.145 1208 G CA -0.064 44.961 45.100 -0.124 0.000 0.791 1208 G HN 0.123 nan 8.290 nan 0.000 0.530 1209 M N 1.143 120.663 119.600 -0.134 0.000 2.423 1209 M HA 0.329 4.810 4.480 0.003 0.000 0.335 1209 M C 0.403 176.647 176.300 -0.094 0.000 1.177 1209 M CA -0.586 54.652 55.300 -0.103 0.000 1.038 1209 M CB 2.156 34.697 32.600 -0.099 0.000 1.641 1209 M HN 0.073 nan 8.290 nan 0.000 0.455 1210 S N 1.839 117.486 115.700 -0.088 0.000 2.580 1210 S HA 0.224 4.695 4.470 0.003 0.000 0.274 1210 S C 0.952 175.569 174.600 0.028 0.000 1.329 1210 S CA -0.841 57.318 58.200 -0.069 0.000 1.036 1210 S CB 0.841 64.016 63.200 -0.042 0.000 0.919 1210 S HN 0.882 nan 8.310 nan 0.000 0.515 1211 L N 1.454 122.734 121.223 0.096 0.000 2.043 1211 L HA -0.211 4.130 4.340 0.003 0.000 0.212 1211 L C 2.119 178.947 176.870 -0.069 0.000 1.075 1211 L CA 1.759 56.630 54.840 0.052 0.000 0.752 1211 L CB -0.860 41.259 42.059 0.099 0.000 0.891 1211 L HN 0.746 nan 8.230 nan 0.000 0.432 1212 N N 0.537 119.257 118.700 0.033 0.000 2.069 1212 N HA -0.239 4.503 4.740 0.003 0.000 0.196 1212 N C 1.460 177.012 175.510 0.070 0.000 1.024 1212 N CA 1.749 54.849 53.050 0.083 0.000 0.869 1212 N CB -0.402 38.123 38.487 0.064 0.000 1.035 1212 N HN 0.380 nan 8.380 nan 0.000 0.434 1213 N N 0.019 118.730 118.700 0.019 0.000 2.376 1213 N HA 0.095 4.837 4.740 0.003 0.000 0.177 1213 N C 1.731 177.240 175.510 -0.003 0.000 1.024 1213 N CA 0.247 53.304 53.050 0.012 0.000 0.893 1213 N CB 0.125 38.606 38.487 -0.010 0.000 0.980 1213 N HN 0.348 nan 8.380 nan 0.000 0.439 1214 I N -0.013 120.510 120.570 -0.079 0.000 2.233 1214 I HA -0.238 3.933 4.170 0.003 0.000 0.243 1214 I C 1.760 177.900 176.117 0.038 0.000 1.093 1214 I CA 0.848 62.046 61.300 -0.171 0.000 1.380 1214 I CB -0.328 37.362 38.000 -0.516 0.000 1.067 1214 I HN -0.019 nan 8.210 nan 0.000 0.413 1215 Y N 1.554 121.863 120.300 0.016 0.000 2.151 1215 Y HA -0.211 4.342 4.550 0.005 0.000 0.284 1215 Y C 2.685 178.613 175.900 0.046 0.000 1.166 1215 Y CA 1.118 59.244 58.100 0.043 0.000 1.163 1215 Y CB -1.612 36.852 38.460 0.007 0.000 0.974 1215 Y HN 0.153 nan 8.280 nan 0.000 0.511 1216 G N -0.911 108.012 108.800 0.206 0.000 2.462 1216 G HA2 -0.193 3.769 3.960 0.003 0.000 0.220 1216 G HA3 -0.193 3.769 3.960 0.003 0.000 0.220 1216 G C 1.864 176.824 174.900 0.101 0.000 1.121 1216 G CA 1.100 46.270 45.100 0.118 0.000 0.758 1216 G HN 0.498 nan 8.290 nan 0.000 0.559 1217 A N 0.067 122.970 122.820 0.138 0.000 1.975 1217 A HA 0.404 4.725 4.320 0.003 0.000 0.215 1217 A C 1.925 179.572 177.584 0.105 0.000 1.170 1217 A CA 0.860 52.993 52.037 0.161 0.000 0.656 1217 A CB -0.181 18.971 19.000 0.254 0.000 0.821 1217 A HN 0.292 nan 8.150 nan 0.000 0.449 1218 S N -0.255 115.556 115.700 0.184 0.000 2.612 1218 S HA 0.182 4.654 4.470 0.003 0.000 0.253 1218 S C 0.405 174.984 174.600 -0.034 0.000 1.346 1218 S CA -0.296 57.923 58.200 0.031 0.000 0.976 1218 S CB 0.291 63.650 63.200 0.265 0.000 0.949 1218 S HN 0.493 nan 8.310 nan 0.000 0.584 1219 K N 0.567 120.933 120.400 -0.057 0.000 2.339 1219 K HA 0.096 4.418 4.320 0.003 0.000 0.286 1219 K C 0.396 176.988 176.600 -0.014 0.000 1.050 1219 K CA -0.032 56.229 56.287 -0.045 0.000 0.956 1219 K CB 0.443 32.913 32.500 -0.049 0.000 0.990 1219 K HN 0.390 nan 8.250 nan 0.000 0.475 1220 Q N 2.306 122.096 119.800 -0.017 0.000 2.226 1220 Q HA 0.040 4.382 4.340 0.003 0.000 0.199 1220 Q C 0.314 176.304 176.000 -0.018 0.000 0.945 1220 Q CA 1.134 56.927 55.803 -0.016 0.000 0.861 1220 Q CB 0.255 28.987 28.738 -0.011 0.000 0.953 1220 Q HN 0.436 nan 8.270 nan 0.000 0.490 1221 K N 1.254 121.643 120.400 -0.018 0.000 3.192 1221 K HA 0.174 4.496 4.320 0.003 0.000 0.269 1221 K C -0.783 175.807 176.600 -0.017 0.000 1.270 1221 K CA -0.144 56.133 56.287 -0.017 0.000 1.249 1221 K CB -0.516 31.975 32.500 -0.016 0.000 1.528 1221 K HN 0.148 nan 8.250 nan 0.000 0.360 1222 I N 1.720 122.280 120.570 -0.016 0.000 2.683 1222 I HA -0.104 4.068 4.170 0.003 0.000 0.286 1222 I C 0.686 176.796 176.117 -0.013 0.000 1.175 1222 I CA 0.324 61.617 61.300 -0.013 0.000 1.429 1222 I CB 0.733 38.727 38.000 -0.011 0.000 1.371 1222 I HN 0.364 nan 8.210 nan 0.000 0.569 1223 S N 5.709 121.403 115.700 -0.011 0.000 2.697 1223 S HA 0.544 5.016 4.470 0.003 0.000 0.289 1223 S C -2.296 172.299 174.600 -0.008 0.000 1.149 1223 S CA -1.300 56.893 58.200 -0.011 0.000 0.850 1223 S CB 1.943 65.137 63.200 -0.011 0.000 1.151 1223 S HN 0.296 nan 8.310 nan 0.000 0.491 1224 P HA 0.033 nan 4.420 nan 0.000 0.220 1224 P C 1.412 178.710 177.300 -0.004 0.000 1.148 1224 P CA 0.656 63.752 63.100 -0.005 0.000 0.803 1224 P CB 0.076 31.773 31.700 -0.005 0.000 0.782 1225 R N -0.071 120.426 120.500 -0.004 0.000 2.127 1225 R HA -0.119 4.222 4.340 0.003 0.000 0.238 1225 R C 1.549 177.848 176.300 -0.001 0.000 1.134 1225 R CA 1.203 57.302 56.100 -0.003 0.000 0.975 1225 R CB -1.279 29.019 30.300 -0.003 0.000 0.865 1225 R HN 0.343 nan 8.270 nan 0.000 0.447 1226 D N 0.601 121.000 120.400 -0.003 0.000 2.144 1226 D HA -0.120 4.521 4.640 0.003 0.000 0.199 1226 D C 2.033 178.335 176.300 0.004 0.000 0.984 1226 D CA 0.980 54.980 54.000 -0.001 0.000 0.834 1226 D CB -0.110 40.688 40.800 -0.004 0.000 0.955 1226 D HN 0.238 nan 8.370 nan 0.000 0.465 1227 I N 1.338 121.909 120.570 0.000 0.000 2.142 1227 I HA -0.255 3.917 4.170 0.003 0.000 0.240 1227 I C 2.306 178.424 176.117 0.001 0.000 1.078 1227 I CA 1.211 62.511 61.300 -0.001 0.000 1.343 1227 I CB -0.288 37.708 38.000 -0.006 0.000 1.046 1227 I HN -0.065 nan 8.210 nan 0.000 0.405 1228 E N 0.736 120.936 120.200 0.001 0.000 2.085 1228 E HA -0.249 4.103 4.350 0.003 0.000 0.194 1228 E C 2.102 178.711 176.600 0.015 0.000 0.994 1228 E CA 1.402 57.804 56.400 0.003 0.000 0.801 1228 E CB -0.142 29.559 29.700 0.001 0.000 0.743 1228 E HN 0.539 nan 8.360 nan 0.000 0.453 1229 E N 0.506 120.718 120.200 0.019 0.000 2.072 1229 E HA -0.133 4.218 4.350 0.003 0.000 0.190 1229 E C 2.182 178.819 176.600 0.062 0.000 0.982 1229 E CA 0.693 57.114 56.400 0.035 0.000 0.803 1229 E CB -0.058 29.653 29.700 0.020 0.000 0.755 1229 E HN 0.268 nan 8.360 nan 0.000 0.453 1230 I N 1.346 121.946 120.570 0.050 0.000 2.179 1230 I HA -0.281 3.890 4.170 0.003 0.000 0.242 1230 I C 2.588 178.750 176.117 0.074 0.000 1.088 1230 I CA 1.008 62.353 61.300 0.074 0.000 1.357 1230 I CB -0.323 37.709 38.000 0.054 0.000 1.051 1230 I HN 0.080 nan 8.210 nan 0.000 0.409 1231 A N 0.929 123.770 122.820 0.034 0.000 1.883 1231 A HA -0.156 4.165 4.320 0.003 0.000 0.217 1231 A C 2.446 180.041 177.584 0.018 0.000 1.186 1231 A CA 2.057 54.101 52.037 0.011 0.000 0.624 1231 A CB -1.527 17.465 19.000 -0.013 0.000 0.822 1231 A HN 0.464 nan 8.150 nan 0.000 0.444 1232 G N -1.414 107.405 108.800 0.031 0.000 2.421 1232 G HA2 -0.290 3.672 3.960 0.003 0.000 0.216 1232 G HA3 -0.290 3.672 3.960 0.003 0.000 0.216 1232 G C 1.523 176.444 174.900 0.035 0.000 1.171 1232 G CA 1.518 46.634 45.100 0.027 0.000 0.775 1232 G HN 0.762 nan 8.290 nan 0.000 0.543 1233 H N 1.401 120.471 119.070 -0.001 0.000 2.299 1233 H HA -0.098 4.460 4.556 0.003 0.000 0.302 1233 H C 2.850 178.179 175.328 0.001 0.000 1.078 1233 H CA 2.449 58.498 56.048 0.002 0.000 1.323 1233 H CB -0.100 29.668 29.762 0.009 0.000 1.381 1233 H HN 0.398 nan 8.280 nan 0.000 0.498 1234 S N -0.901 114.798 115.700 -0.002 0.000 2.406 1234 S HA 0.031 4.503 4.470 0.003 0.000 0.228 1234 S C 2.029 176.583 174.600 -0.077 0.000 1.020 1234 S CA 0.686 58.864 58.200 -0.037 0.000 0.965 1234 S CB -0.670 62.572 63.200 0.071 0.000 0.798 1234 S HN 0.852 nan 8.310 nan 0.000 0.488 1235 G N 1.093 109.859 108.800 -0.058 0.000 2.203 1235 G HA2 -0.241 3.721 3.960 0.003 0.000 0.263 1235 G HA3 -0.241 3.721 3.960 0.003 0.000 0.263 1235 G C -0.117 174.762 174.900 -0.035 0.000 1.012 1235 G CA 0.765 45.834 45.100 -0.050 0.000 0.749 1235 G HN 0.571 nan 8.290 nan 0.000 0.512 1236 L N 0.685 121.894 121.223 -0.024 0.000 2.330 1236 L HA 0.523 4.865 4.340 0.003 0.000 0.271 1236 L C -1.638 175.200 176.870 -0.053 0.000 1.013 1236 L CA -2.541 52.286 54.840 -0.021 0.000 0.816 1236 L CB 1.804 43.868 42.059 0.007 0.000 1.287 1236 L HN -0.108 nan 8.230 nan 0.000 0.435 1237 P HA 0.060 nan 4.420 nan 0.000 0.268 1237 P C -0.910 176.273 177.300 -0.195 0.000 1.204 1237 P CA -0.076 62.924 63.100 -0.167 0.000 0.768 1237 P CB 0.999 32.567 31.700 -0.219 0.000 0.842 1238 V N 4.492 124.279 119.914 -0.210 0.000 2.417 1238 V HA 0.321 4.443 4.120 0.003 0.000 0.291 1238 V C 0.127 176.077 176.094 -0.240 0.000 1.024 1238 V CA -0.453 61.763 62.300 -0.140 0.000 0.861 1238 V CB 0.702 32.487 31.823 -0.064 0.000 0.985 1238 V HN 0.347 nan 8.190 nan 0.000 0.436 1239 F N 3.173 123.073 119.950 -0.083 0.000 2.385 1239 F HA 0.513 5.042 4.527 0.003 0.000 0.336 1239 F C 0.321 176.117 175.800 -0.008 0.000 1.100 1239 F CA -0.493 57.511 58.000 0.005 0.000 1.116 1239 F CB 1.641 40.724 39.000 0.138 0.000 1.166 1239 F HN 0.160 nan 8.300 nan 0.000 0.511 1240 V N 3.692 123.723 119.914 0.195 0.000 2.370 1240 V HA 0.285 4.407 4.120 0.003 0.000 0.279 1240 V C -0.206 175.974 176.094 0.142 0.000 1.029 1240 V CA -0.958 61.405 62.300 0.105 0.000 0.870 1240 V CB 1.317 33.179 31.823 0.065 0.000 0.984 1240 V HN 0.623 nan 8.190 nan 0.000 0.451 1241 K N 3.302 123.693 120.400 -0.015 0.000 2.206 1241 K HA 0.666 4.988 4.320 0.003 0.000 0.264 1241 K C 0.677 177.218 176.600 -0.099 0.000 0.967 1241 K CA 0.348 56.540 56.287 -0.158 0.000 0.844 1241 K CB 1.334 33.426 32.500 -0.681 0.000 1.099 1241 K HN 0.890 nan 8.250 nan 0.000 0.441 1242 G N 3.759 112.551 108.800 -0.014 0.000 2.227 1242 G HA2 -0.140 3.822 3.960 0.003 0.000 0.168 1242 G HA3 -0.140 3.822 3.960 0.003 0.000 0.168 1242 G C -0.047 174.894 174.900 0.067 0.000 1.006 1242 G CA -0.484 44.631 45.100 0.025 0.000 0.684 1242 G HN 0.567 nan 8.290 nan 0.000 0.489 1243 I N 1.378 122.009 120.570 0.103 0.000 2.533 1243 I HA 0.171 4.342 4.170 0.003 0.000 0.284 1243 I C 1.252 177.441 176.117 0.119 0.000 1.109 1243 I CA 0.360 61.729 61.300 0.115 0.000 1.412 1243 I CB 1.162 39.244 38.000 0.137 0.000 1.396 1243 I HN 0.087 nan 8.210 nan 0.000 0.543 1244 Q N 3.860 123.730 119.800 0.116 0.000 2.210 1244 Q HA 0.151 4.492 4.340 0.003 0.000 0.252 1244 Q C 0.048 176.117 176.000 0.115 0.000 0.811 1244 Q CA 0.205 56.073 55.803 0.108 0.000 0.953 1244 Q CB 0.932 29.726 28.738 0.093 0.000 1.136 1244 Q HN 0.572 nan 8.270 nan 0.000 0.491 1245 H N 2.157 121.251 119.070 0.040 0.000 2.466 1245 H HA 0.197 4.754 4.556 0.003 0.000 0.338 1245 H C -1.860 173.487 175.328 0.031 0.000 1.091 1245 H CA -1.810 54.255 56.048 0.029 0.000 1.207 1245 H CB 2.254 32.029 29.762 0.021 0.000 1.466 1245 H HN -0.209 nan 8.280 nan 0.000 0.493 1246 P HA -0.183 nan 4.420 nan 0.000 0.217 1246 P C 1.198 178.599 177.300 0.168 0.000 1.148 1246 P CA 1.118 64.245 63.100 0.044 0.000 0.828 1246 P CB 0.484 32.150 31.700 -0.057 0.000 0.783 1247 E N 0.493 120.927 120.200 0.389 0.000 2.153 1247 E HA -0.189 4.162 4.350 0.003 0.000 0.194 1247 E C 1.431 178.104 176.600 0.122 0.000 0.988 1247 E CA 1.406 57.937 56.400 0.219 0.000 0.811 1247 E CB -0.948 28.853 29.700 0.168 0.000 0.746 1247 E HN 0.100 nan 8.360 nan 0.000 0.466 1248 D N 0.074 120.557 120.400 0.137 0.000 2.178 1248 D HA -0.116 4.526 4.640 0.003 0.000 0.201 1248 D C 1.749 178.094 176.300 0.075 0.000 0.980 1248 D CA 1.456 55.503 54.000 0.078 0.000 0.842 1248 D CB -0.482 40.365 40.800 0.077 0.000 0.948 1248 D HN 0.353 nan 8.370 nan 0.000 0.472 1249 A N 1.079 123.953 122.820 0.090 0.000 1.877 1249 A HA -0.212 4.110 4.320 0.003 0.000 0.216 1249 A C 1.913 179.528 177.584 0.052 0.000 1.186 1249 A CA 1.772 53.853 52.037 0.074 0.000 0.620 1249 A CB -0.516 18.530 19.000 0.077 0.000 0.822 1249 A HN 0.022 nan 8.150 nan 0.000 0.443 1250 D N -0.767 119.663 120.400 0.051 0.000 2.092 1250 D HA -0.180 4.462 4.640 0.003 0.000 0.193 1250 D C 1.934 178.249 176.300 0.025 0.000 0.994 1250 D CA 1.529 55.550 54.000 0.035 0.000 0.828 1250 D CB -0.376 40.447 40.800 0.038 0.000 0.963 1250 D HN 0.333 nan 8.370 nan 0.000 0.450 1251 M N 0.996 120.613 119.600 0.028 0.000 2.073 1251 M HA -0.206 4.275 4.480 0.003 0.000 0.258 1251 M C 2.054 178.361 176.300 0.012 0.000 1.070 1251 M CA 1.880 57.189 55.300 0.016 0.000 1.103 1251 M CB -0.698 31.909 32.600 0.011 0.000 1.321 1251 M HN -0.002 nan 8.290 nan 0.000 0.405 1252 A N 0.339 123.171 122.820 0.019 0.000 1.902 1252 A HA -0.163 4.158 4.320 0.003 0.000 0.217 1252 A C 2.159 179.742 177.584 -0.002 0.000 1.181 1252 A CA 1.865 53.910 52.037 0.012 0.000 0.623 1252 A CB -0.916 18.102 19.000 0.029 0.000 0.818 1252 A HN 0.624 nan 8.150 nan 0.000 0.443 1253 I N -0.686 119.884 120.570 0.001 0.000 2.252 1253 I HA -0.224 3.948 4.170 0.003 0.000 0.245 1253 I C 2.494 178.603 176.117 -0.012 0.000 1.102 1253 I CA 1.702 62.995 61.300 -0.012 0.000 1.385 1253 I CB -0.209 37.788 38.000 -0.005 0.000 1.064 1253 I HN 0.355 nan 8.210 nan 0.000 0.414 1254 K N 0.844 121.241 120.400 -0.004 0.000 2.152 1254 K HA -0.179 4.143 4.320 0.003 0.000 0.206 1254 K C 1.777 178.373 176.600 -0.008 0.000 1.048 1254 K CA 1.295 57.579 56.287 -0.005 0.000 0.933 1254 K CB 0.115 32.615 32.500 0.000 0.000 0.721 1254 K HN 0.042 nan 8.250 nan 0.000 0.447 1255 R N -0.599 119.896 120.500 -0.008 0.000 2.320 1255 R HA 0.090 4.431 4.340 0.003 0.000 0.211 1255 R C 0.833 177.124 176.300 -0.016 0.000 0.931 1255 R CA 0.638 56.732 56.100 -0.010 0.000 1.071 1255 R CB -0.034 30.262 30.300 -0.007 0.000 1.025 1255 R HN 0.553 nan 8.270 nan 0.000 0.495 1256 G N -0.745 108.041 108.800 -0.024 0.000 2.144 1256 G HA2 -0.237 3.725 3.960 0.003 0.000 0.218 1256 G HA3 -0.237 3.725 3.960 0.003 0.000 0.218 1256 G C 0.236 175.102 174.900 -0.056 0.000 0.988 1256 G CA -0.017 45.062 45.100 -0.035 0.000 0.659 1256 G HN 0.536 nan 8.290 nan 0.000 0.522 1257 A N 0.093 122.877 122.820 -0.060 0.000 2.407 1257 A HA 0.717 5.039 4.320 0.003 0.000 0.248 1257 A C 1.339 178.832 177.584 -0.152 0.000 1.082 1257 A CA 1.093 53.069 52.037 -0.101 0.000 0.785 1257 A CB 0.606 19.563 19.000 -0.072 0.000 1.020 1257 A HN 0.893 nan 8.150 nan 0.000 0.489 1258 S N 0.358 115.902 115.700 -0.260 0.000 2.540 1258 S HA 0.408 4.880 4.470 0.003 0.000 0.218 1258 S C 0.660 174.974 174.600 -0.477 0.000 0.977 1258 S CA 0.497 58.512 58.200 -0.309 0.000 0.918 1258 S CB 0.179 63.195 63.200 -0.307 0.000 0.806 1258 S HN 1.324 nan 8.310 nan 0.000 0.496 1259 G N 0.829 109.267 108.800 -0.603 0.000 2.673 1259 G HA2 0.570 4.532 3.960 0.003 0.000 0.292 1259 G HA3 0.570 4.532 3.960 0.003 0.000 0.292 1259 G C -1.671 173.184 174.900 -0.076 0.000 1.450 1259 G CA -0.547 44.211 45.100 -0.569 0.000 0.837 1259 G HN 0.064 nan 8.290 nan 0.000 0.505 1260 I N 0.894 121.587 120.570 0.206 0.000 2.404 1260 I HA 0.414 4.586 4.170 0.003 0.000 0.293 1260 I C -1.095 175.305 176.117 0.472 0.000 0.992 1260 I CA -1.019 60.455 61.300 0.290 0.000 1.149 1260 I CB 1.815 39.925 38.000 0.183 0.000 1.315 1260 I HN 0.563 nan 8.210 nan 0.000 0.446 1261 W N 8.016 129.459 121.300 0.238 0.000 2.338 1261 W HA 0.457 5.119 4.660 0.004 0.000 0.315 1261 W C -1.258 175.303 176.519 0.071 0.000 1.005 1261 W CA -0.876 56.560 57.345 0.151 0.000 1.380 1261 W CB 1.296 30.808 29.460 0.087 0.000 1.235 1261 W HN 0.087 nan 8.180 nan 0.000 0.409 1262 V N 5.666 125.786 119.914 0.344 0.000 2.508 1262 V HA 0.437 4.559 4.120 0.003 0.000 0.281 1262 V C 0.329 176.484 176.094 0.102 0.000 1.041 1262 V CA 0.283 62.723 62.300 0.233 0.000 1.016 1262 V CB 0.838 32.842 31.823 0.302 0.000 0.984 1262 V HN 0.494 nan 8.190 nan 0.000 0.478 1263 S N 3.207 118.945 115.700 0.062 0.000 2.578 1263 S HA 0.336 4.808 4.470 0.003 0.000 0.285 1263 S C -0.349 174.256 174.600 0.007 0.000 1.126 1263 S CA -0.551 57.636 58.200 -0.022 0.000 0.878 1263 S CB 1.344 64.581 63.200 0.060 0.000 1.091 1263 S HN 0.927 nan 8.310 nan 0.000 0.450 1264 N N 2.210 120.906 118.700 -0.007 0.000 2.275 1264 N HA 0.194 4.935 4.740 0.003 0.000 0.236 1264 N C -0.011 175.573 175.510 0.123 0.000 1.154 1264 N CA 0.158 53.240 53.050 0.053 0.000 0.866 1264 N CB -0.635 37.880 38.487 0.045 0.000 1.093 1264 N HN 0.904 nan 8.380 nan 0.000 0.515 1265 H N -0.029 119.023 119.070 -0.031 0.000 2.886 1265 H HA -0.102 4.455 4.556 0.002 0.000 0.294 1265 H C 1.039 176.354 175.328 -0.022 0.000 1.246 1265 H CA 0.746 56.780 56.048 -0.024 0.000 1.142 1265 H CB -1.362 28.399 29.762 -0.002 0.000 1.358 1265 H HN 0.632 nan 8.280 nan 0.000 0.406 1266 G N -0.410 108.404 108.800 0.024 0.000 2.283 1266 G HA2 -0.009 3.953 3.960 0.003 0.000 0.280 1266 G HA3 -0.009 3.953 3.960 0.003 0.000 0.280 1266 G C 1.022 175.950 174.900 0.047 0.000 1.029 1266 G CA 1.183 46.292 45.100 0.014 0.000 0.840 1266 G HN 2.002 nan 8.290 nan 0.000 0.505 1267 A N -2.242 120.620 122.820 0.070 0.000 2.861 1267 A HA -0.282 4.039 4.320 0.003 0.000 0.261 1267 A C 1.653 179.296 177.584 0.097 0.000 1.351 1267 A CA 2.356 54.442 52.037 0.082 0.000 0.904 1267 A CB -1.660 17.381 19.000 0.068 0.000 1.076 1267 A HN 1.127 nan 8.150 nan 0.000 0.729 1268 R N -1.082 119.480 120.500 0.103 0.000 2.310 1268 R HA 0.111 4.453 4.340 0.003 0.000 0.202 1268 R C 1.662 177.976 176.300 0.023 0.000 0.933 1268 R CA 0.856 56.996 56.100 0.067 0.000 1.054 1268 R CB 0.053 30.414 30.300 0.102 0.000 0.985 1268 R HN 0.703 nan 8.270 nan 0.000 0.489 1269 Q N 0.080 119.895 119.800 0.025 0.000 3.081 1269 Q HA 0.179 4.521 4.340 0.003 0.000 0.214 1269 Q C -0.007 176.024 176.000 0.052 0.000 1.170 1269 Q CA -0.581 55.209 55.803 -0.022 0.000 0.310 1269 Q CB -0.648 28.026 28.738 -0.107 0.000 5.825 1269 Q HN 0.044 nan 8.270 nan 0.000 0.316 1270 L N 2.019 123.272 121.223 0.049 0.000 2.513 1270 L HA 0.040 4.382 4.340 0.003 0.000 0.272 1270 L C -0.603 176.348 176.870 0.136 0.000 1.187 1270 L CA 0.352 55.241 54.840 0.082 0.000 0.895 1270 L CB -0.246 41.843 42.059 0.050 0.000 1.147 1270 L HN 0.277 nan 8.230 nan 0.000 0.483 1271 Y N 4.444 124.774 120.300 0.050 0.000 2.354 1271 Y HA 0.241 4.792 4.550 0.003 0.000 0.322 1271 Y C 0.945 176.895 175.900 0.083 0.000 1.253 1271 Y CA -0.192 57.955 58.100 0.078 0.000 1.272 1271 Y CB 0.642 39.138 38.460 0.061 0.000 1.255 1271 Y HN 0.874 nan 8.280 nan 0.000 0.500 1272 E N 0.858 120.473 120.200 -0.975 0.000 2.513 1272 E HA -0.231 4.121 4.350 0.003 0.000 0.257 1272 E C -1.278 175.210 176.600 -0.187 0.000 1.098 1272 E CA 0.382 56.394 56.400 -0.647 0.000 0.752 1272 E CB -1.138 28.233 29.700 -0.548 0.000 1.324 1272 E HN 0.702 nan 8.360 nan 0.000 0.403 1273 A N 0.636 123.423 122.820 -0.056 0.000 2.288 1273 A HA 0.788 5.110 4.320 0.003 0.000 0.328 1273 A C -2.356 175.297 177.584 0.116 0.000 1.123 1273 A CA -1.173 50.884 52.037 0.034 0.000 0.861 1273 A CB 0.822 19.843 19.000 0.036 0.000 1.272 1273 A HN 0.063 nan 8.150 nan 0.000 0.490 1274 P HA 0.258 nan 4.420 nan 0.000 0.272 1274 P C 0.359 177.681 177.300 0.037 0.000 1.230 1274 P CA 0.126 63.282 63.100 0.093 0.000 0.788 1274 P CB 0.300 32.035 31.700 0.058 0.000 0.949 1275 G N 0.338 109.127 108.800 -0.019 0.000 2.432 1275 G HA2 0.033 3.995 3.960 0.003 0.000 0.239 1275 G HA3 0.033 3.995 3.960 0.003 0.000 0.239 1275 G C 1.255 176.139 174.900 -0.028 0.000 1.291 1275 G CA -0.033 45.019 45.100 -0.080 0.000 0.863 1275 G HN 0.504 nan 8.290 nan 0.000 0.560 1276 S N 1.926 117.631 115.700 0.009 0.000 2.368 1276 S HA -0.192 4.279 4.470 0.003 0.000 0.225 1276 S C 1.962 176.733 174.600 0.284 0.000 1.030 1276 S CA 1.646 59.916 58.200 0.116 0.000 0.999 1276 S CB -0.405 62.819 63.200 0.040 0.000 0.844 1276 S HN 0.620 nan 8.310 nan 0.000 0.459 1277 F N 1.890 121.840 119.950 0.000 0.000 2.202 1277 F HA -0.118 4.411 4.527 0.002 0.000 0.301 1277 F C 1.824 177.497 175.800 -0.213 0.000 1.082 1277 F CA 1.634 59.446 58.000 -0.314 0.000 1.313 1277 F CB -0.166 38.183 39.000 -1.085 0.000 1.024 1277 F HN 0.213 nan 8.300 nan 0.000 0.495 1278 D N -0.221 120.023 120.400 -0.261 0.000 2.264 1278 D HA -0.136 4.505 4.640 0.003 0.000 0.208 1278 D C 2.338 178.525 176.300 -0.189 0.000 0.966 1278 D CA 1.729 55.577 54.000 -0.252 0.000 0.864 1278 D CB -0.315 40.455 40.800 -0.051 0.000 0.933 1278 D HN 0.447 nan 8.370 nan 0.000 0.499 1279 T N -1.598 112.900 114.554 -0.093 0.000 3.067 1279 T HA -0.016 4.335 4.350 0.003 0.000 0.257 1279 T C 1.892 176.569 174.700 -0.038 0.000 1.105 1279 T CA -0.028 62.047 62.100 -0.041 0.000 1.104 1279 T CB -0.077 68.808 68.868 0.030 0.000 0.925 1279 T HN 0.005 nan 8.240 nan 0.000 0.498 1280 L N 2.497 123.680 121.223 -0.067 0.000 2.027 1280 L HA 0.233 4.574 4.340 0.003 0.000 0.206 1280 L C -0.929 175.904 176.870 -0.061 0.000 1.074 1280 L CA 1.580 56.415 54.840 -0.008 0.000 0.745 1280 L CB -1.294 40.739 42.059 -0.043 0.000 0.898 1280 L HN 0.083 nan 8.230 nan 0.000 0.433 1281 P HA -0.165 nan 4.420 nan 0.000 0.215 1281 P C 1.614 178.877 177.300 -0.061 0.000 1.153 1281 P CA 2.139 65.177 63.100 -0.103 0.000 0.853 1281 P CB -0.229 31.384 31.700 -0.144 0.000 0.788 1282 A N -0.908 121.868 122.820 -0.073 0.000 1.902 1282 A HA -0.187 4.135 4.320 0.003 0.000 0.217 1282 A C 2.187 179.750 177.584 -0.034 0.000 1.181 1282 A CA 1.546 53.546 52.037 -0.063 0.000 0.623 1282 A CB -1.632 17.312 19.000 -0.094 0.000 0.818 1282 A HN 0.122 nan 8.150 nan 0.000 0.443 1283 I N -0.326 120.237 120.570 -0.011 0.000 2.202 1283 I HA -0.238 3.934 4.170 0.003 0.000 0.242 1283 I C 2.971 179.110 176.117 0.038 0.000 1.091 1283 I CA 1.050 62.367 61.300 0.028 0.000 1.368 1283 I CB -0.339 37.703 38.000 0.070 0.000 1.058 1283 I HN 0.330 nan 8.210 nan 0.000 0.410 1284 A N 0.284 123.125 122.820 0.036 0.000 1.902 1284 A HA -0.260 4.062 4.320 0.003 0.000 0.217 1284 A C 2.356 179.955 177.584 0.024 0.000 1.181 1284 A CA 1.850 53.910 52.037 0.040 0.000 0.623 1284 A CB -0.625 18.397 19.000 0.036 0.000 0.818 1284 A HN 0.455 nan 8.150 nan 0.000 0.443 1285 E N 0.285 120.490 120.200 0.008 0.000 2.070 1285 E HA -0.278 4.074 4.350 0.003 0.000 0.197 1285 E C 2.191 178.796 176.600 0.008 0.000 1.004 1285 E CA 1.861 58.263 56.400 0.003 0.000 0.805 1285 E CB -0.254 29.440 29.700 -0.011 0.000 0.744 1285 E HN 0.455 nan 8.360 nan 0.000 0.451 1286 R N 0.271 120.777 120.500 0.010 0.000 2.075 1286 R HA -0.055 4.286 4.340 0.003 0.000 0.232 1286 R C 2.488 178.802 176.300 0.023 0.000 1.126 1286 R CA 1.422 57.532 56.100 0.015 0.000 0.963 1286 R CB -0.737 29.574 30.300 0.018 0.000 0.858 1286 R HN 0.100 nan 8.270 nan 0.000 0.435 1287 V N 1.635 121.567 119.914 0.031 0.000 2.407 1287 V HA -0.215 3.907 4.120 0.003 0.000 0.248 1287 V C 1.117 177.227 176.094 0.026 0.000 1.055 1287 V CA 1.752 64.072 62.300 0.034 0.000 1.049 1287 V CB -0.952 30.900 31.823 0.049 0.000 0.662 1287 V HN 0.776 nan 8.190 nan 0.000 0.455 1288 N N 0.253 118.967 118.700 0.024 0.000 2.714 1288 N HA -0.315 4.427 4.740 0.003 0.000 0.252 1288 N C 0.354 175.876 175.510 0.021 0.000 1.014 1288 N CA 0.743 53.805 53.050 0.020 0.000 0.735 1288 N CB -0.726 37.770 38.487 0.014 0.000 0.924 1288 N HN 0.675 nan 8.380 nan 0.000 0.540 1289 K N -2.372 118.044 120.400 0.027 0.000 3.193 1289 K HA -0.276 4.046 4.320 0.003 0.000 0.294 1289 K C 1.040 177.652 176.600 0.020 0.000 1.185 1289 K CA 1.598 57.902 56.287 0.028 0.000 0.866 1289 K CB -0.866 31.649 32.500 0.025 0.000 1.227 1289 K HN 0.484 nan 8.250 nan 0.000 0.467 1290 R N 0.286 120.795 120.500 0.016 0.000 2.115 1290 R HA -0.022 4.320 4.340 0.003 0.000 0.230 1290 R C 1.072 177.370 176.300 -0.003 0.000 1.111 1290 R CA 1.463 57.566 56.100 0.005 0.000 0.976 1290 R CB 0.164 30.465 30.300 0.002 0.000 0.870 1290 R HN 0.331 nan 8.270 nan 0.000 0.445 1291 V N -3.853 116.063 119.914 0.002 0.000 3.159 1291 V HA 0.567 4.689 4.120 0.003 0.000 0.308 1291 V C -2.800 173.309 176.094 0.025 0.000 1.190 1291 V CA -3.290 59.001 62.300 -0.015 0.000 1.037 1291 V CB 2.112 33.900 31.823 -0.059 0.000 1.060 1291 V HN -0.215 nan 8.190 nan 0.000 0.437 1292 P HA 0.435 nan 4.420 nan 0.000 0.269 1292 P C -0.792 176.617 177.300 0.181 0.000 1.209 1292 P CA 0.216 63.390 63.100 0.123 0.000 0.776 1292 P CB 0.300 32.115 31.700 0.191 0.000 0.876 1293 I N 1.710 122.389 120.570 0.183 0.000 2.389 1293 I HA 0.249 4.421 4.170 0.003 0.000 0.288 1293 I C -0.320 175.885 176.117 0.146 0.000 0.999 1293 I CA -1.037 60.380 61.300 0.194 0.000 1.129 1293 I CB 1.824 39.920 38.000 0.159 0.000 1.288 1293 I HN -0.038 nan 8.210 nan 0.000 0.444 1294 V N 6.553 126.501 119.914 0.058 0.000 2.481 1294 V HA 0.347 4.468 4.120 0.003 0.000 0.286 1294 V C -0.527 175.448 176.094 -0.199 0.000 1.042 1294 V CA -0.521 61.603 62.300 -0.293 0.000 0.928 1294 V CB 1.599 32.766 31.823 -1.094 0.000 0.986 1294 V HN 0.463 nan 8.190 nan 0.000 0.462 1295 F N 4.940 124.754 119.950 -0.228 0.000 2.508 1295 F HA 0.761 5.290 4.527 0.004 0.000 0.325 1295 F C -0.441 175.343 175.800 -0.028 0.000 1.090 1295 F CA -0.456 57.520 58.000 -0.040 0.000 0.945 1295 F CB 1.710 40.772 39.000 0.103 0.000 1.156 1295 F HN 0.720 nan 8.300 nan 0.000 0.463 1296 D N 1.149 120.990 120.400 -0.931 0.000 2.664 1296 D HA 0.621 5.263 4.640 0.003 0.000 0.292 1296 D C -1.518 174.312 176.300 -0.782 0.000 1.214 1296 D CA -0.905 52.735 54.000 -0.599 0.000 0.932 1296 D CB 1.712 42.464 40.800 -0.080 0.000 1.420 1296 D HN 0.527 nan 8.370 nan 0.000 0.471 1297 S N -1.041 114.508 115.700 -0.251 0.000 3.820 1297 S HA 0.450 4.922 4.470 0.003 0.000 0.761 1297 S C 0.455 175.117 174.600 0.104 0.000 0.478 1297 S CA 0.301 58.445 58.200 -0.094 0.000 1.364 1297 S CB -1.442 61.682 63.200 -0.126 0.000 0.736 1297 S HN 1.910 nan 8.310 nan 0.000 1.000 1298 G N -0.256 108.656 108.800 0.188 0.000 2.154 1298 G HA2 -0.142 3.820 3.960 0.003 0.000 0.186 1298 G HA3 -0.142 3.820 3.960 0.003 0.000 0.186 1298 G C -0.031 175.189 174.900 0.533 0.000 1.000 1298 G CA -0.282 45.024 45.100 0.343 0.000 0.664 1298 G HN 1.372 nan 8.290 nan 0.000 0.513 1299 V N 1.512 121.663 119.914 0.395 0.000 2.479 1299 V HA 0.436 4.557 4.120 0.003 0.000 0.281 1299 V C 1.326 177.555 176.094 0.226 0.000 1.031 1299 V CA 0.272 62.714 62.300 0.237 0.000 1.038 1299 V CB 1.236 33.112 31.823 0.087 0.000 0.981 1299 V HN 0.337 nan 8.190 nan 0.000 0.478 1300 R N 3.609 124.310 120.500 0.334 0.000 2.556 1300 R HA 0.361 4.703 4.340 0.003 0.000 0.276 1300 R C 0.408 176.626 176.300 -0.137 0.000 0.931 1300 R CA 0.068 56.211 56.100 0.073 0.000 1.061 1300 R CB 0.757 30.845 30.300 -0.353 0.000 1.432 1300 R HN 0.571 nan 8.270 nan 0.000 0.547 1301 R N -1.579 118.757 120.500 -0.273 0.000 2.740 1301 R HA 0.374 4.716 4.340 0.003 0.000 0.273 1301 R C 0.811 176.895 176.300 -0.360 0.000 0.998 1301 R CA -0.209 55.567 56.100 -0.541 0.000 0.900 1301 R CB 1.403 31.147 30.300 -0.926 0.000 1.223 1301 R HN 0.017 nan 8.270 nan 0.000 0.466 1302 G N 0.838 109.442 108.800 -0.326 0.000 2.475 1302 G HA2 -0.290 3.671 3.960 0.003 0.000 0.220 1302 G HA3 -0.290 3.671 3.960 0.003 0.000 0.220 1302 G C 0.801 175.584 174.900 -0.195 0.000 1.125 1302 G CA 0.950 45.942 45.100 -0.180 0.000 0.755 1302 G HN 0.579 nan 8.290 nan 0.000 0.565 1303 E N -0.119 119.902 120.200 -0.297 0.000 2.153 1303 E HA -0.062 4.289 4.350 0.003 0.000 0.194 1303 E C 2.102 178.561 176.600 -0.234 0.000 0.988 1303 E CA 1.057 57.323 56.400 -0.224 0.000 0.811 1303 E CB -0.268 29.307 29.700 -0.209 0.000 0.746 1303 E HN 0.766 nan 8.360 nan 0.000 0.466 1304 H N -0.922 117.819 119.070 -0.547 0.000 2.363 1304 H HA -0.041 4.516 4.556 0.002 0.000 0.301 1304 H C 2.085 177.036 175.328 -0.629 0.000 1.074 1304 H CA 0.907 56.282 56.048 -1.120 0.000 1.354 1304 H CB 0.116 28.830 29.762 -1.748 0.000 1.397 1304 H HN -0.016 nan 8.280 nan 0.000 0.516 1305 V N 1.411 121.217 119.914 -0.181 0.000 2.282 1305 V HA -0.325 3.797 4.120 0.003 0.000 0.249 1305 V C 2.727 178.816 176.094 -0.008 0.000 1.057 1305 V CA 1.801 64.082 62.300 -0.031 0.000 1.032 1305 V CB -0.946 30.914 31.823 0.061 0.000 0.645 1305 V HN 0.550 nan 8.190 nan 0.000 0.447 1306 A N -0.386 122.417 122.820 -0.028 0.000 1.898 1306 A HA -0.218 4.104 4.320 0.003 0.000 0.216 1306 A C 2.319 179.930 177.584 0.045 0.000 1.181 1306 A CA 1.946 53.992 52.037 0.015 0.000 0.620 1306 A CB -0.428 18.577 19.000 0.008 0.000 0.819 1306 A HN 0.549 nan 8.150 nan 0.000 0.442 1307 K N -0.344 120.066 120.400 0.017 0.000 2.097 1307 K HA -0.013 4.308 4.320 0.003 0.000 0.205 1307 K C 2.296 179.017 176.600 0.202 0.000 1.050 1307 K CA 1.021 57.370 56.287 0.104 0.000 0.938 1307 K CB -0.283 32.224 32.500 0.012 0.000 0.718 1307 K HN 0.439 nan 8.250 nan 0.000 0.442 1308 A N 1.035 123.920 122.820 0.109 0.000 1.898 1308 A HA -0.143 4.179 4.320 0.003 0.000 0.216 1308 A C 2.018 179.668 177.584 0.110 0.000 1.181 1308 A CA 1.247 53.340 52.037 0.092 0.000 0.620 1308 A CB -0.453 18.543 19.000 -0.008 0.000 0.819 1308 A HN 0.086 nan 8.150 nan 0.000 0.442 1309 L N -0.271 121.011 121.223 0.098 0.000 2.017 1309 L HA -0.107 4.235 4.340 0.003 0.000 0.208 1309 L C 2.964 179.893 176.870 0.099 0.000 1.073 1309 L CA 1.915 56.810 54.840 0.091 0.000 0.745 1309 L CB -0.925 41.179 42.059 0.075 0.000 0.894 1309 L HN 0.385 nan 8.230 nan 0.000 0.432 1310 A N -1.863 121.026 122.820 0.116 0.000 2.076 1310 A HA -0.151 4.171 4.320 0.003 0.000 0.220 1310 A C 2.239 179.898 177.584 0.124 0.000 1.160 1310 A CA 1.888 53.999 52.037 0.122 0.000 0.653 1310 A CB -0.497 18.592 19.000 0.147 0.000 0.801 1310 A HN 0.427 nan 8.150 nan 0.000 0.455 1311 S N -2.089 113.698 115.700 0.145 0.000 2.557 1311 S HA 0.420 4.892 4.470 0.003 0.000 0.223 1311 S C 1.172 175.805 174.600 0.054 0.000 0.969 1311 S CA 0.608 58.867 58.200 0.099 0.000 0.927 1311 S CB 0.458 63.738 63.200 0.132 0.000 0.806 1311 S HN 1.517 nan 8.310 nan 0.000 0.489 1312 G N 1.118 109.960 108.800 0.071 0.000 2.192 1312 G HA2 -0.086 3.876 3.960 0.003 0.000 0.193 1312 G HA3 -0.086 3.876 3.960 0.003 0.000 0.193 1312 G C 0.131 175.083 174.900 0.086 0.000 0.999 1312 G CA -0.311 44.829 45.100 0.066 0.000 0.659 1312 G HN 0.748 nan 8.290 nan 0.000 0.503 1313 A N 0.214 123.094 122.820 0.099 0.000 2.371 1313 A HA 0.615 4.936 4.320 0.003 0.000 0.257 1313 A C 1.053 178.698 177.584 0.101 0.000 1.089 1313 A CA 0.645 52.756 52.037 0.124 0.000 0.794 1313 A CB 0.439 19.536 19.000 0.163 0.000 1.029 1313 A HN 0.144 nan 8.150 nan 0.000 0.488 1314 D N -0.298 120.163 120.400 0.101 0.000 2.216 1314 D HA 0.105 4.747 4.640 0.003 0.000 0.208 1314 D C 0.804 177.143 176.300 0.066 0.000 0.960 1314 D CA 1.925 55.976 54.000 0.086 0.000 0.861 1314 D CB 0.248 41.110 40.800 0.104 0.000 0.985 1314 D HN 0.526 nan 8.370 nan 0.000 0.493 1315 V N -1.524 118.419 119.914 0.049 0.000 3.181 1315 V HA 0.672 4.794 4.120 0.003 0.000 0.308 1315 V C -0.318 175.782 176.094 0.010 0.000 1.214 1315 V CA -1.100 61.208 62.300 0.014 0.000 1.053 1315 V CB 2.062 33.855 31.823 -0.049 0.000 1.069 1315 V HN -0.092 nan 8.190 nan 0.000 0.441 1316 V N -1.170 118.760 119.914 0.027 0.000 2.994 1316 V HA 1.050 5.171 4.120 0.003 0.000 0.318 1316 V C 0.207 176.239 176.094 -0.103 0.000 1.085 1316 V CA -0.251 62.070 62.300 0.034 0.000 0.998 1316 V CB 1.363 33.278 31.823 0.153 0.000 1.063 1316 V HN 2.105 nan 8.190 nan 0.000 0.447 1317 A N 3.503 126.229 122.820 -0.156 0.000 2.330 1317 A HA 0.852 5.173 4.320 0.003 0.000 0.327 1317 A C -0.601 176.901 177.584 -0.137 0.000 1.155 1317 A CA -0.787 51.164 52.037 -0.143 0.000 0.803 1317 A CB 0.829 19.802 19.000 -0.045 0.000 1.208 1317 A HN 0.965 nan 8.150 nan 0.000 0.477 1318 L N 2.462 123.558 121.223 -0.211 0.000 2.322 1318 L HA 0.681 5.023 4.340 0.003 0.000 0.279 1318 L C 1.050 177.794 176.870 -0.210 0.000 1.036 1318 L CA -0.197 54.445 54.840 -0.331 0.000 0.807 1318 L CB 1.823 43.524 42.059 -0.598 0.000 1.226 1318 L HN 0.913 nan 8.230 nan 0.000 0.433 1319 G N 0.960 109.636 108.800 -0.208 0.000 2.710 1319 G HA2 0.162 4.124 3.960 0.003 0.000 0.198 1319 G HA3 0.162 4.124 3.960 0.003 0.000 0.198 1319 G C 0.996 175.733 174.900 -0.272 0.000 1.797 1319 G CA -0.284 44.701 45.100 -0.193 0.000 0.759 1319 G HN 0.520 nan 8.290 nan 0.000 0.808 1320 R N 1.252 121.564 120.500 -0.313 0.000 2.113 1320 R HA -0.118 4.223 4.340 0.003 0.000 0.244 1320 R C -0.191 175.706 176.300 -0.671 0.000 1.142 1320 R CA 2.377 58.133 56.100 -0.572 0.000 0.953 1320 R CB -1.082 28.927 30.300 -0.485 0.000 0.860 1320 R HN 0.306 nan 8.270 nan 0.000 0.438 1321 P HA -0.104 nan 4.420 nan 0.000 0.216 1321 P C 1.463 178.721 177.300 -0.071 0.000 1.150 1321 P CA 1.210 64.272 63.100 -0.062 0.000 0.837 1321 P CB -0.074 31.692 31.700 0.110 0.000 0.786 1322 V N -0.509 119.323 119.914 -0.137 0.000 2.358 1322 V HA -0.198 3.924 4.120 0.003 0.000 0.246 1322 V C 2.670 178.686 176.094 -0.129 0.000 1.047 1322 V CA 1.447 63.680 62.300 -0.112 0.000 1.035 1322 V CB -1.299 30.439 31.823 -0.142 0.000 0.658 1322 V HN -0.013 nan 8.190 nan 0.000 0.452 1323 L N -1.133 119.940 121.223 -0.250 0.000 2.046 1323 L HA -0.128 4.214 4.340 0.003 0.000 0.208 1323 L C 2.324 179.160 176.870 -0.057 0.000 1.077 1323 L CA 1.826 56.528 54.840 -0.232 0.000 0.747 1323 L CB -0.626 41.225 42.059 -0.346 0.000 0.896 1323 L HN 0.208 nan 8.230 nan 0.000 0.432 1324 F N -0.297 119.657 119.950 0.007 0.000 2.126 1324 F HA -0.134 4.394 4.527 0.002 0.000 0.299 1324 F C 2.465 178.276 175.800 0.018 0.000 1.096 1324 F CA 1.021 59.048 58.000 0.044 0.000 1.255 1324 F CB -1.793 37.232 39.000 0.042 0.000 0.997 1324 F HN 0.075 nan 8.300 nan 0.000 0.479 1325 G N 0.014 108.910 108.800 0.159 0.000 2.446 1325 G HA2 -0.252 3.710 3.960 0.003 0.000 0.217 1325 G HA3 -0.252 3.710 3.960 0.003 0.000 0.217 1325 G C 1.761 176.680 174.900 0.032 0.000 1.168 1325 G CA 0.912 46.054 45.100 0.070 0.000 0.771 1325 G HN 0.348 nan 8.290 nan 0.000 0.551 1326 L N 1.188 122.421 121.223 0.018 0.000 2.083 1326 L HA 0.127 4.468 4.340 0.003 0.000 0.209 1326 L C 3.120 179.988 176.870 -0.004 0.000 1.083 1326 L CA 2.051 56.869 54.840 -0.038 0.000 0.752 1326 L CB -0.483 41.571 42.059 -0.008 0.000 0.899 1326 L HN 0.241 nan 8.230 nan 0.000 0.433 1327 A N -1.007 121.897 122.820 0.140 0.000 1.902 1327 A HA -0.169 4.153 4.320 0.003 0.000 0.217 1327 A C 2.048 179.742 177.584 0.182 0.000 1.181 1327 A CA 1.771 53.947 52.037 0.232 0.000 0.623 1327 A CB -0.733 18.436 19.000 0.281 0.000 0.818 1327 A HN 0.387 nan 8.150 nan 0.000 0.443 1328 L N -1.725 119.561 121.223 0.106 0.000 2.313 1328 L HA 0.169 4.510 4.340 0.003 0.000 0.214 1328 L C 1.662 178.544 176.870 0.020 0.000 1.119 1328 L CA 1.588 56.463 54.840 0.059 0.000 0.809 1328 L CB -0.351 41.731 42.059 0.038 0.000 0.933 1328 L HN 0.490 nan 8.230 nan 0.000 0.449 1329 G N -2.548 106.230 108.800 -0.038 0.000 5.580 1329 G HA2 0.424 4.385 3.960 0.003 0.000 0.197 1329 G HA3 0.424 4.385 3.960 0.003 0.000 0.197 1329 G C 0.725 175.460 174.900 -0.275 0.000 0.741 1329 G CA 0.298 45.327 45.100 -0.120 0.000 0.692 1329 G HN 0.496 nan 8.290 nan 0.000 0.300 1330 G N 0.896 109.379 108.800 -0.529 0.000 2.594 1330 G HA2 -0.362 3.600 3.960 0.003 0.000 0.297 1330 G HA3 -0.362 3.600 3.960 0.003 0.000 0.297 1330 G C 1.432 176.177 174.900 -0.257 0.000 1.273 1330 G CA 0.988 45.618 45.100 -0.784 0.000 0.974 1330 G HN 1.178 nan 8.290 nan 0.000 0.552 1331 W N 0.610 121.789 121.300 -0.202 0.000 2.338 1331 W HA -0.130 4.531 4.660 0.001 0.000 0.304 1331 W C 2.170 178.653 176.519 -0.059 0.000 1.212 1331 W CA 1.839 59.138 57.345 -0.078 0.000 1.264 1331 W CB -0.892 28.549 29.460 -0.032 0.000 1.142 1331 W HN 0.688 nan 8.180 nan 0.000 0.512 1332 Q N 0.702 119.946 119.800 -0.927 0.000 2.084 1332 Q HA -0.085 4.257 4.340 0.003 0.000 0.202 1332 Q C 2.776 178.531 176.000 -0.408 0.000 0.978 1332 Q CA 1.943 57.023 55.803 -1.204 0.000 0.844 1332 Q CB -0.772 26.818 28.738 -1.913 0.000 0.898 1332 Q HN 0.496 nan 8.270 nan 0.000 0.426 1333 G N 0.676 109.312 108.800 -0.272 0.000 2.422 1333 G HA2 -0.211 3.751 3.960 0.003 0.000 0.218 1333 G HA3 -0.211 3.751 3.960 0.003 0.000 0.218 1333 G C 1.478 176.387 174.900 0.015 0.000 1.146 1333 G CA 0.851 45.902 45.100 -0.082 0.000 0.769 1333 G HN 0.413 nan 8.290 nan 0.000 0.547 1334 A N -0.083 122.755 122.820 0.030 0.000 1.898 1334 A HA 0.016 4.337 4.320 0.003 0.000 0.216 1334 A C 2.175 179.839 177.584 0.133 0.000 1.181 1334 A CA 1.541 53.622 52.037 0.073 0.000 0.620 1334 A CB -0.671 18.381 19.000 0.086 0.000 0.819 1334 A HN 0.459 nan 8.150 nan 0.000 0.442 1335 Y N 1.241 121.617 120.300 0.126 0.000 2.207 1335 Y HA -0.216 4.336 4.550 0.002 0.000 0.287 1335 Y C 2.671 178.694 175.900 0.205 0.000 1.156 1335 Y CA 1.871 60.109 58.100 0.231 0.000 1.182 1335 Y CB -0.205 38.471 38.460 0.362 0.000 0.979 1335 Y HN 0.307 nan 8.280 nan 0.000 0.521 1336 S N -0.785 115.125 115.700 0.349 0.000 2.399 1336 S HA -0.181 4.291 4.470 0.003 0.000 0.231 1336 S C 2.016 176.681 174.600 0.108 0.000 1.022 1336 S CA 1.318 59.674 58.200 0.259 0.000 0.983 1336 S CB -0.523 62.809 63.200 0.221 0.000 0.803 1336 S HN 0.338 nan 8.310 nan 0.000 0.480 1337 V N 1.951 121.900 119.914 0.059 0.000 2.323 1337 V HA -0.094 4.028 4.120 0.003 0.000 0.244 1337 V C 2.136 178.274 176.094 0.073 0.000 1.041 1337 V CA 1.327 63.657 62.300 0.051 0.000 1.025 1337 V CB -0.676 31.173 31.823 0.043 0.000 0.656 1337 V HN 0.417 nan 8.190 nan 0.000 0.451 1338 L N 0.103 121.247 121.223 -0.132 0.000 2.012 1338 L HA -0.239 4.103 4.340 0.003 0.000 0.210 1338 L C 2.385 179.057 176.870 -0.330 0.000 1.073 1338 L CA 2.228 56.805 54.840 -0.438 0.000 0.748 1338 L CB -0.749 40.819 42.059 -0.817 0.000 0.891 1338 L HN 0.399 nan 8.230 nan 0.000 0.431 1339 D N -0.794 119.489 120.400 -0.195 0.000 2.123 1339 D HA -0.285 4.356 4.640 0.003 0.000 0.196 1339 D C 2.072 178.434 176.300 0.103 0.000 0.992 1339 D CA 1.231 55.269 54.000 0.063 0.000 0.833 1339 D CB -0.109 40.738 40.800 0.078 0.000 0.954 1339 D HN 0.320 nan 8.370 nan 0.000 0.455 1340 Y N -0.182 120.085 120.300 -0.055 0.000 2.097 1340 Y HA -0.246 4.306 4.550 0.003 0.000 0.282 1340 Y C 1.835 177.630 175.900 -0.174 0.000 1.152 1340 Y CA 1.754 59.770 58.100 -0.140 0.000 1.136 1340 Y CB -0.675 37.638 38.460 -0.245 0.000 0.975 1340 Y HN -0.010 nan 8.280 nan 0.000 0.498 1341 F N 0.606 120.423 119.950 -0.222 0.000 2.171 1341 F HA -0.242 4.287 4.527 0.002 0.000 0.300 1341 F C 2.784 178.520 175.800 -0.108 0.000 1.090 1341 F CA 2.038 59.808 58.000 -0.383 0.000 1.293 1341 F CB -0.699 37.826 39.000 -0.791 0.000 1.013 1341 F HN 0.180 nan 8.300 nan 0.000 0.486 1342 Q N 1.015 121.011 119.800 0.327 0.000 2.079 1342 Q HA -0.183 4.158 4.340 0.003 0.000 0.200 1342 Q C 2.020 178.095 176.000 0.125 0.000 0.974 1342 Q CA 1.567 57.606 55.803 0.393 0.000 0.840 1342 Q CB -0.122 28.941 28.738 0.542 0.000 0.898 1342 Q HN 0.383 nan 8.270 nan 0.000 0.430 1343 K N 0.165 120.569 120.400 0.007 0.000 2.103 1343 K HA -0.120 4.202 4.320 0.003 0.000 0.204 1343 K C 1.827 178.320 176.600 -0.178 0.000 1.052 1343 K CA 1.217 57.461 56.287 -0.072 0.000 0.945 1343 K CB -0.041 32.412 32.500 -0.079 0.000 0.722 1343 K HN 0.119 nan 8.250 nan 0.000 0.443 1344 D N 0.972 121.146 120.400 -0.377 0.000 2.104 1344 D HA -0.165 4.476 4.640 0.003 0.000 0.194 1344 D C 1.710 177.876 176.300 -0.223 0.000 0.994 1344 D CA 0.733 54.459 54.000 -0.456 0.000 0.830 1344 D CB 0.009 40.296 40.800 -0.856 0.000 0.959 1344 D HN -0.036 nan 8.370 nan 0.000 0.452 1345 L N 0.129 121.284 121.223 -0.113 0.000 2.083 1345 L HA -0.111 4.231 4.340 0.003 0.000 0.209 1345 L C 2.157 179.016 176.870 -0.019 0.000 1.083 1345 L CA 1.704 56.531 54.840 -0.020 0.000 0.752 1345 L CB -0.900 41.218 42.059 0.098 0.000 0.899 1345 L HN 0.000 nan 8.230 nan 0.000 0.433 1346 T N -0.361 114.182 114.554 -0.018 0.000 2.746 1346 T HA -0.227 4.125 4.350 0.003 0.000 0.267 1346 T C 1.978 176.659 174.700 -0.031 0.000 1.039 1346 T CA 1.649 63.740 62.100 -0.015 0.000 1.142 1346 T CB -0.266 68.597 68.868 -0.009 0.000 0.866 1346 T HN 0.389 nan 8.240 nan 0.000 0.444 1347 R N 0.710 121.176 120.500 -0.057 0.000 2.073 1347 R HA -0.083 4.259 4.340 0.003 0.000 0.234 1347 R C 2.311 178.583 176.300 -0.047 0.000 1.134 1347 R CA 1.364 57.430 56.100 -0.057 0.000 0.952 1347 R CB -0.593 29.657 30.300 -0.082 0.000 0.850 1347 R HN 0.243 nan 8.270 nan 0.000 0.433 1348 V N 1.480 121.359 119.914 -0.058 0.000 2.343 1348 V HA -0.289 3.832 4.120 0.003 0.000 0.247 1348 V C 2.497 178.582 176.094 -0.016 0.000 1.051 1348 V CA 2.092 64.366 62.300 -0.043 0.000 1.036 1348 V CB -0.399 31.387 31.823 -0.061 0.000 0.654 1348 V HN 0.398 nan 8.190 nan 0.000 0.451 1349 M N -0.769 118.825 119.600 -0.010 0.000 2.086 1349 M HA -0.235 4.246 4.480 0.003 0.000 0.261 1349 M C 2.394 178.696 176.300 0.003 0.000 1.067 1349 M CA 2.123 57.425 55.300 0.003 0.000 1.116 1349 M CB -0.473 32.130 32.600 0.005 0.000 1.348 1349 M HN 0.304 nan 8.290 nan 0.000 0.407 1350 Q N 1.067 120.864 119.800 -0.005 0.000 2.061 1350 Q HA -0.133 4.209 4.340 0.003 0.000 0.204 1350 Q C 1.697 177.697 176.000 -0.000 0.000 0.984 1350 Q CA 1.856 57.656 55.803 -0.004 0.000 0.846 1350 Q CB -0.480 28.252 28.738 -0.011 0.000 0.902 1350 Q HN 0.559 nan 8.270 nan 0.000 0.421 1351 L N -0.263 120.958 121.223 -0.003 0.000 2.217 1351 L HA -0.045 4.296 4.340 0.003 0.000 0.211 1351 L C 2.031 178.913 176.870 0.020 0.000 1.107 1351 L CA 1.480 56.321 54.840 0.003 0.000 0.783 1351 L CB -0.596 41.458 42.059 -0.008 0.000 0.919 1351 L HN 0.392 nan 8.230 nan 0.000 0.442 1352 T N -4.178 110.392 114.554 0.026 0.000 3.086 1352 T HA 0.259 4.611 4.350 0.003 0.000 0.250 1352 T C 1.364 176.090 174.700 0.044 0.000 1.074 1352 T CA 0.401 62.531 62.100 0.049 0.000 0.988 1352 T CB 0.605 69.507 68.868 0.056 0.000 0.988 1352 T HN 0.408 nan 8.240 nan 0.000 0.530 1353 G N 1.004 109.820 108.800 0.027 0.000 2.137 1353 G HA2 -0.214 3.748 3.960 0.003 0.000 0.237 1353 G HA3 -0.214 3.748 3.960 0.003 0.000 0.237 1353 G C -0.011 174.901 174.900 0.020 0.000 1.002 1353 G CA -0.046 45.066 45.100 0.021 0.000 0.702 1353 G HN 0.672 nan 8.290 nan 0.000 0.515 1354 S N -0.009 115.704 115.700 0.021 0.000 2.420 1354 S HA 0.455 4.926 4.470 0.003 0.000 0.313 1354 S C 0.944 175.552 174.600 0.013 0.000 1.079 1354 S CA -0.153 58.059 58.200 0.020 0.000 1.104 1354 S CB 1.755 64.971 63.200 0.025 0.000 0.969 1354 S HN 0.422 nan 8.310 nan 0.000 0.471 1355 Q N 3.485 123.292 119.800 0.011 0.000 2.137 1355 Q HA -0.013 4.329 4.340 0.003 0.000 0.198 1355 Q C 0.383 176.386 176.000 0.005 0.000 0.960 1355 Q CA 1.540 57.347 55.803 0.006 0.000 0.847 1355 Q CB 0.134 28.875 28.738 0.005 0.000 0.915 1355 Q HN 0.832 nan 8.270 nan 0.000 0.448 1356 N N -3.261 115.444 118.700 0.008 0.000 2.629 1356 N HA 0.189 4.931 4.740 0.003 0.000 0.279 1356 N C 0.121 175.638 175.510 0.011 0.000 1.344 1356 N CA -0.247 52.806 53.050 0.006 0.000 0.789 1356 N CB 0.509 38.998 38.487 0.004 0.000 1.508 1356 N HN -0.192 nan 8.380 nan 0.000 0.516 1357 V N 0.173 120.092 119.914 0.008 0.000 2.343 1357 V HA -0.174 3.948 4.120 0.003 0.000 0.247 1357 V C 1.892 178.000 176.094 0.023 0.000 1.051 1357 V CA 1.749 64.058 62.300 0.014 0.000 1.036 1357 V CB -0.738 31.088 31.823 0.005 0.000 0.654 1357 V HN 0.657 nan 8.190 nan 0.000 0.451 1358 E N 0.019 120.232 120.200 0.021 0.000 2.160 1358 E HA -0.218 4.134 4.350 0.003 0.000 0.195 1358 E C 1.902 178.519 176.600 0.029 0.000 0.991 1358 E CA 1.290 57.706 56.400 0.026 0.000 0.810 1358 E CB -0.401 29.312 29.700 0.022 0.000 0.742 1358 E HN 0.647 nan 8.360 nan 0.000 0.466 1359 D N 0.721 121.136 120.400 0.026 0.000 2.178 1359 D HA -0.116 4.525 4.640 0.003 0.000 0.201 1359 D C 2.194 178.517 176.300 0.039 0.000 0.980 1359 D CA 0.501 54.519 54.000 0.029 0.000 0.842 1359 D CB -0.285 40.530 40.800 0.024 0.000 0.948 1359 D HN 0.200 nan 8.370 nan 0.000 0.472 1360 L N 0.668 121.915 121.223 0.041 0.000 2.079 1360 L HA -0.173 4.169 4.340 0.003 0.000 0.210 1360 L C 2.263 179.170 176.870 0.062 0.000 1.081 1360 L CA 1.203 56.074 54.840 0.051 0.000 0.752 1360 L CB -0.350 41.737 42.059 0.048 0.000 0.896 1360 L HN -0.030 nan 8.230 nan 0.000 0.433 1361 K N -0.128 120.305 120.400 0.056 0.000 2.281 1361 K HA -0.100 4.221 4.320 0.003 0.000 0.203 1361 K C 1.754 178.390 176.600 0.061 0.000 1.046 1361 K CA 1.121 57.444 56.287 0.060 0.000 0.938 1361 K CB -0.292 32.239 32.500 0.053 0.000 0.737 1361 K HN 0.417 nan 8.250 nan 0.000 0.458 1362 G N 0.383 109.216 108.800 0.056 0.000 3.126 1362 G HA2 0.065 4.027 3.960 0.003 0.000 0.224 1362 G HA3 0.065 4.027 3.960 0.003 0.000 0.224 1362 G C 0.057 174.996 174.900 0.066 0.000 1.142 1362 G CA -0.375 44.757 45.100 0.053 0.000 0.759 1362 G HN -0.047 nan 8.290 nan 0.000 0.550 1363 L N 1.959 123.231 121.223 0.083 0.000 2.490 1363 L HA 0.194 4.536 4.340 0.003 0.000 0.274 1363 L C -0.125 176.826 176.870 0.136 0.000 1.201 1363 L CA -0.516 54.389 54.840 0.108 0.000 0.869 1363 L CB 0.399 42.532 42.059 0.124 0.000 1.123 1363 L HN 0.061 nan 8.230 nan 0.000 0.484 1364 D N 2.870 123.363 120.400 0.154 0.000 2.414 1364 D HA 0.261 4.903 4.640 0.003 0.000 0.242 1364 D C -0.238 176.281 176.300 0.366 0.000 1.129 1364 D CA -0.003 54.130 54.000 0.223 0.000 0.885 1364 D CB 0.820 41.721 40.800 0.167 0.000 1.198 1364 D HN 0.060 nan 8.370 nan 0.000 0.437 1365 L N 2.099 123.519 121.223 0.328 0.000 2.362 1365 L HA 0.394 4.736 4.340 0.003 0.000 0.271 1365 L C -0.534 176.505 176.870 0.282 0.000 1.002 1365 L CA -0.965 54.047 54.840 0.287 0.000 0.818 1365 L CB 1.205 43.402 42.059 0.229 0.000 1.298 1365 L HN 0.290 nan 8.230 nan 0.000 0.420 1366 F N 2.599 122.500 119.950 -0.083 0.000 2.445 1366 F HA 0.258 4.787 4.527 0.003 0.000 0.359 1366 F C 0.576 176.391 175.800 0.024 0.000 1.101 1366 F CA -0.337 57.597 58.000 -0.110 0.000 1.177 1366 F CB 0.589 39.309 39.000 -0.467 0.000 1.110 1366 F HN 0.493 nan 8.300 nan 0.000 0.522 1367 D N 5.254 125.439 120.400 -0.357 0.000 2.348 1367 D HA 0.036 4.678 4.640 0.003 0.000 0.253 1367 D C -0.582 175.592 176.300 -0.209 0.000 1.161 1367 D CA 0.179 54.057 54.000 -0.203 0.000 0.876 1367 D CB 0.384 41.057 40.800 -0.212 0.000 1.160 1367 D HN 0.698 nan 8.370 nan 0.000 0.459 1368 N N 4.686 123.458 118.700 0.121 0.000 2.707 1368 N HA 0.201 4.943 4.740 0.003 0.000 0.235 1368 N C -1.941 173.613 175.510 0.074 0.000 1.028 1368 N CA -1.681 51.533 53.050 0.274 0.000 0.906 1368 N CB 1.396 40.187 38.487 0.506 0.000 1.131 1368 N HN 0.210 nan 8.380 nan 0.000 0.509 1369 P HA -0.028 nan 4.420 nan 0.000 0.233 1369 P C -0.372 176.733 177.300 -0.325 0.000 1.167 1369 P CA 0.579 63.510 63.100 -0.281 0.000 0.770 1369 P CB 0.084 31.538 31.700 -0.412 0.000 0.837 1370 Y N 0.149 120.411 120.300 -0.063 0.000 2.298 1370 Y HA 0.443 4.995 4.550 0.003 0.000 0.329 1370 Y C 2.110 178.037 175.900 0.046 0.000 1.293 1370 Y CA -0.203 57.861 58.100 -0.060 0.000 1.388 1370 Y CB 0.087 38.421 38.460 -0.210 0.000 1.309 1370 Y HN -0.123 nan 8.280 nan 0.000 0.544 1371 G N -0.512 108.448 108.800 0.266 0.000 2.928 1371 G HA2 -0.105 3.857 3.960 0.003 0.000 0.163 1371 G HA3 -0.105 3.857 3.960 0.003 0.000 0.163 1371 G C 0.574 175.703 174.900 0.381 0.000 1.573 1371 G CA -0.176 45.092 45.100 0.281 0.000 1.084 1371 G HN 0.793 nan 8.290 nan 0.000 0.569 1372 Y N 0.406 120.861 120.300 0.259 0.000 2.165 1372 Y HA -0.105 4.447 4.550 0.003 0.000 0.286 1372 Y C 2.765 178.783 175.900 0.198 0.000 1.155 1372 Y CA 2.254 60.479 58.100 0.209 0.000 1.164 1372 Y CB 0.348 38.892 38.460 0.139 0.000 0.978 1372 Y HN 0.273 nan 8.280 nan 0.000 0.513 1373 E N -0.693 119.648 120.200 0.234 0.000 2.481 1373 E HA -0.098 4.253 4.350 0.003 0.000 0.195 1373 E C -0.293 176.408 176.600 0.169 0.000 1.047 1373 E CA 0.418 56.905 56.400 0.145 0.000 0.867 1373 E CB -0.476 29.327 29.700 0.172 0.000 0.858 1373 E HN 0.454 nan 8.360 nan 0.000 0.513 1374 Y N 0.000 120.322 120.300 0.036 0.000 2.660 1374 Y HA 0.000 4.552 4.550 0.003 0.000 0.201 1374 Y CA 0.000 58.094 58.100 -0.009 0.000 1.940 1374 Y CB 0.000 38.407 38.460 -0.088 0.000 1.050 1374 Y HN 0.000 nan 8.280 nan 0.000 0.758